ID: ALA540445

Max Phase: Phase

Molecular Formula: C15H20O3

Molecular Weight: 248.32

Molecule Type: Small molecule

Representations

Synonyms (2): Parthenolide | NSC-157035
Synonyms from Alternative Forms(2):

Canonical SMILES:  C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21

Standard InChI:  InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1

Standard InChI Key:  KTEXNACQROZXEV-SLXBATTESA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: Yes

Availability: No

Prodrug: No

Properties

Molecular Weight: 248.32

Molecular Weight (Monoisotopic): 248.1412

AlogP: 2.76

#Rotatable Bonds: 0

Polar Surface Area: 38.83

Molecular Species: NEUTRAL

HBA: 3

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: 3.07

CX LogD: 3.07

Aromatic Rings: 0

Heavy Atoms: 18

QED Weighted: 0.29

Np Likeness Score: 3.93

References

1. Wagner S, Hofmann A, Siedle B, Terfloth L, Merfort I, Gasteiger J..  (2006)  Development of a structural model for NF-kappaB inhibition of sesquiterpene lactones using self-organizing neural networks.,  49  (7): [PMID:16570920] [10.1021/jm051125n]

2. Bachelier A, Mayer R, Klein CD..  (2006)  Sesquiterpene lactones are potent and irreversible inhibitors of the antibacterial target enzyme MurA.,  16  (21): [PMID:16945528] [10.1016/j.bmcl.2006.08.021]

3. Hong SS, Lee SA, Han XH, Jin HZ, Lee JH, Lee D, Lee JJ, Hong JT, Kim Y, Ro JS, Hwang BY..  (2007)  Kaurane diterpenoids from Isodon excisus inhibit LPS-induced NF-kappaB activation and NO production in macrophage RAW264.7 cells.,  70  (4): [PMID:17338565] [10.1021/np060638+]

4. Olajide OA, Heiss EH, Schachner D, Wright CW, Vollmar AM, Dirsch VM..  (2007)  Synthetic cryptolepine inhibits DNA binding of NF-kappaB.,  15  (1): [PMID:17064915] [10.1016/j.bmc.2006.10.018]

5. Collu F, Bonsignore L, Casu M, Floris C, Gertsch J, Cottiglia F..  (2008)  New cytotoxic saturated and unsaturated cyclohexanones from Anthemis maritima.,  18  (5): [PMID:18262418] [10.1016/j.bmcl.2008.01.078]

6. Wagner S, Arce R, Murillo R, Terfloth L, Gasteiger J, Merfort I..  (2008)  Neural networks as valuable tools to differentiate between sesquiterpene lactones' inhibitory activity on serotonin release and on NF-kappaB.,  51  (5): [PMID:18271521] [10.1021/jm701318x]

7. Weber JT, O'Connor MF, Hayataka K, Colson N, Medora R, Russo EB, Parker KK..  (1997)  Activity of Parthenolide at 5HT2A receptors.,  60  (6): [PMID:9214741] [10.1021/np960644d]

8. Müller S, Murillo R, Castro V, Brecht V, Merfort I..  (2004)  Sesquiterpene lactones from Montanoa hibiscifolia that inhibit the transcription factor NF-kappa B.,  67  (4): [PMID:15104492] [10.1021/np034072q]

9. Yang C, Yuan C, Jia Z..  (2003)  Xanthanolides, germacranolides, and other constituents from Carpesium longifolium.,  66  (12): [PMID:14695795] [10.1021/np030278f]

10. Giang PM, Jin HZ, Son PT, Lee JH, Hong YS, Lee JJ..  (2003)  ent-Kaurane diterpenoids from croton tonkinensis inhibit LPS-induced NF-kappaB activation and NO production.,  66  (9): [PMID:14510600] [10.1021/np030139y]

11. Nasim S, Crooks PA..  (2008)  Antileukemic activity of aminoparthenolide analogs.,  18  (14): [PMID:18590961] [10.1016/j.bmcl.2008.06.050]

12. Dell'Agli M, Galli GV, Bosisio E, D'Ambrosio M..  (2009)  Inhibition of NF-kB and metalloproteinase-9 expression and secretion by parthenolide derivatives.,  19  (7): [PMID:19269818] [10.1016/j.bmcl.2009.02.080]

13. Pezzuto JM, Che CT, McPherson DD, Zhu JP, Topcu G, Erdelmeier CA, Cordell GA..  (1991)  DNA as an affinity probe useful in the detection and isolation of biologically active natural products.,  54  (6): [PMID:1812211] [10.1021/np50078a006]

14. Fernandes MB, Scotti MT, Ferreira MJ, Emerenciano VP..  (2008)  Use of self-organizing maps and molecular descriptors to predict the cytotoxic activity of sesquiterpene lactones.,  43  (10): [PMID:18329753] [10.1016/j.ejmech.2008.01.003]

15. Larsson J, Gottfries J, Bohlin L, Backlund A..  (2005)  Expanding the ChemGPS chemical space with natural products.,  68  (7): [PMID:16038536] [10.1021/np049655u]

16. Ruangrungsi N, Rivepiboon A, Lange GL, Lee M, Decicco CP, Picha P, Preechanukool K..  (1987)  Constituents of Paramichelia baillonii: a new antitumor germacranolide alkaloid.,  50  (5): [PMID:3437284] [10.1021/np50053a020]

17. Marles RJ, Kaminski J, Arnason JT, Pazos-Sanou L, Heptinstall S, Fischer NH, Crompton CW, Kindack DG, Awang DV..  (1992)  A bioassay for inhibition of serotonin release from bovine platelets.,  55  (8): [PMID:1431933] [10.1021/np50086a003]

18. Li J, Ding Y, Li XC, Ferreira D, Khan S, Smillie T, Khan IA..  (2009)  Scuteflorins A and B, dihydropyranocoumarins from Scutellaria lateriflora.,  72  (6): [PMID:19555121] [10.1021/np900068t]

19. Neelakantan S, Nasim S, Guzman ML, Jordan CT, Crooks PA..  (2009)  Aminoparthenolides as novel anti-leukemic agents: Discovery of the NF-kappaB inhibitor, DMAPT (LC-1).,  19  (15): [PMID:19505822] [10.1016/j.bmcl.2009.05.092]

20. Ankisetty S, Gochfeld DJ, Diaz MC, Khan SI, Slattery M..  (2010)  Chemical constituents of the deep reef caribbean sponges Plakortis angulospiculatus and Plakortis halichondrioides and their anti-inflammatory activities.,  73  (9): [PMID:20738102] [10.1021/np100233d]

21. Diamandis P, Wildenhain J, Clarke ID, Sacher AG, Graham J, Bellows DS, Ling EK, Ward RJ, Jamieson LG, Tyers M, Dirks PB..  (2007)  Chemical genetics reveals a complex functional ground state of neural stem cells.,  3  (5): [PMID:17417631] [10.1038/nchembio873]

22. Yuan J, Johnson RL, Huang R, Wichterman J, Jiang H, Hayton K, Fidock DA, Wellems TE, Inglese J, Austin CP, Su XZ..  (2009)  Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.,  5  (10): [PMID:19734910] [10.1038/nchembio.215]

23. Ramachandran PV, Pratihar D, Nair HN, Walters M, Smith S, Yip-Schneider MT, Wu H, Schmidt CM..  (2010)  Tailored α-methylene-γ-butyrolactones and their effects on growth suppression in pancreatic carcinoma cells.,  20  (22): [PMID:20888222] [10.1016/j.bmcl.2010.09.022]

24. Scott S. Auerbach, DrugMatrix¨ and ToxFX¨ Coordinator National Toxicology Program. DrugMatrix in vitro pharmacology data, 

25. Bryant VC, Kishore Kumar GD, Nyong AM, Natarajan A..  (2012)  Synthesis and evaluation of macrocyclic diarylether heptanoid natural products and their analogs.,  22  (1): [PMID:22137846] [10.1016/j.bmcl.2011.11.025]

26. Woods JR, Mo H, Bieberich AA, Alavanja T, Colby DA..  (2011)  Fluorinated amino-derivatives of the sesquiterpene lactone, parthenolide, as (19)f NMR probes in deuterium-free environments.,  54  (22): [PMID:22029741] [10.1021/jm201114t]

27. Baumgartner L, Sosa S, Atanasov AG, Bodensieck A, Fakhrudin N, Bauer J, Favero GD, Ponti C, Heiss EH, Schwaiger S, Ladurner A, Widowitz U, Loggia RD, Rollinger JM, Werz O, Bauer R, Dirsch VM, Tubaro A, Stuppner H..  (2011)  Lignan derivatives from Krameria lappacea roots inhibit acute inflammation in vivo and pro-inflammatory mediators in vitro.,  74  (8): [PMID:21800856] [10.1021/np200343t]

28. Brunhofer G, Fallarero A, Karlsson D, Batista-Gonzalez A, Shinde P, Gopi Mohan C, Vuorela P..  (2012)  Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.,  20  (22): [PMID:23062825] [10.1016/j.bmc.2012.09.040]

29. Zhang Q, Lu Y, Ding Y, Zhai J, Ji Q, Ma W, Yang M, Fan H, Long J, Tong Z, Shi Y, Jia Y, Han B, Zhang W, Qiu C, Ma X, Li Q, Shi Q, Zhang H, Li D, Zhang J, Lin J, Li LY, Gao Y, Chen Y..  (2012)  Guaianolide sesquiterpene lactones, a source to discover agents that selectively inhibit acute myelogenous leukemia stem and progenitor cells.,  55  (20): [PMID:22985027] [10.1021/jm301064b]

30. Kocyigit-Kaymakcoglu B, Oruc-Emre EE, Unsalan S, Tabanca N, Khan SI, Wedge DE, Iscan G, Demirci F, Rollas S.  (2012)  Synthesis and biological activity of hydrazidehydrazones and their corresponding 3-acetyl-2,5-disubstituted-2,3-dihydro-1,3,4-oxadiazoles,  21  (11): [10.1007/s00044-011-9882-z]

31. Galindo JC, de Luque AP, Jorrín J, Macías FA..  (2002)  SAR studies of sesquiterpene lactones as Orobanche cumana seed germination stimulants.,  50  (7): [PMID:11902932] [10.1021/jf0110809]

32. Könczöl A, Müller J, Földes E, Béni Z, Végh K, Kéry A, Balogh GT..  (2013)  Applicability of a blood-brain barrier specific artificial membrane permeability assay at the early stage of natural product-based CNS drug discovery.,  76  (4): [PMID:23565574] [10.1021/np300882f]

33. Zaki MA, Balachandran P, Khan S, Wang M, Mohammed R, Hetta MH, Pasco DS, Muhammad I..  (2013)  Cytotoxicity and modulation of cancer-related signaling by (Z)- and (E)-3,4,3',5'-tetramethoxystilbene isolated from Eugenia rigida.,  76  (4): [PMID:23547843] [10.1021/np300893n]

34. Genomics of Drug Sensitity in Cancer screening data, Wellcome Trust Sanger Institute,  [10.6019/CHEMBL1201861]

35. Schomburg C, Schuehly W, Da Costa FB, Klempnauer KH, Schmidt TJ..  (2013)  Natural sesquiterpene lactones as inhibitors of Myb-dependent gene expression: structure-activity relationships.,  63  [PMID:23501116] [10.1016/j.ejmech.2013.02.018]

36. Zhao Y, Su J, Goto M, Morris-Natschke SL, Li Y, Zhao QS, Yao ZJ, Lee KH..  (2013)  Dual-functional abeo-taxane derivatives destabilizing microtubule equilibrium and inhibiting NF-κB activation.,  56  (11): [PMID:23725535] [10.1021/jm400479p]

37. De Bruyn T, van Westen GJ, Ijzerman AP, Stieger B, de Witte P, Augustijns PF, Annaert PP..  (2013)  Structure-based identification of OATP1B1/3 inhibitors.,  83  (6): [PMID:23571415] [10.1124/mol.112.084152]

38. Smit FJ, N'da DD..  (2014)  Synthesis, in vitro antimalarial activity and cytotoxicity of novel 4-aminoquinolinyl-chalcone amides.,  22  (3): [PMID:24411478] [10.1016/j.bmc.2013.12.032]

39. Tran TV, Malainer C, Schwaiger S, Atanasov AG, Heiss EH, Dirsch VM, Stuppner H..  (2014)  NF-κB inhibitors from Eurycoma longifolia.,  77  (3): [PMID:24467387] [10.1021/np400701k]

40. Zhao J, Khan SI, Wang M, Vasquez Y, Yang MH, Avula B, Wang YH, Avonto C, Smillie TJ, Khan IA..  (2014)  Octulosonic acid derivatives from Roman chamomile (Chamaemelum nobile) with activities against inflammation and metabolic disorder.,  77  (3): [PMID:24471493] [10.1021/np400780n]

41. Bedos-Belval F, Rouch A, Vanucci-Bacque C, Baltas M.  (2012)  Diaryl ether derivatives as anticancer agents a review,  3  (11): [10.1039/C2MD20199B]

42. Janganati V, Penthala NR, Cragle CE, MacNicol AM, Crooks PA..  (2014)  Heterocyclic aminoparthenolide derivatives modulate G(2)-M cell cycle progression during Xenopus oocyte maturation.,  24  (8): [PMID:24656611] [10.1016/j.bmcl.2014.02.067]

43. Long J, Zhang SF, Wang PP, Zhang XM, Yang ZJ, Zhang Q, Chen Y..  (2014)  Total syntheses of parthenolide and its analogues with macrocyclic stereocontrol.,  57  (16): [PMID:25102048] [10.1021/jm5009456]

44. Amrutha K, Nanjan P, Shaji SK, Sunilkumar D, Subhalakshmi K, Rajakrishna L, Banerji A..  (2014)  Discovery of lesser known flavones as inhibitors of NF-κB signaling in MDA-MB-231 breast cancer cells--A SAR study.,  24  (19): [PMID:25190466] [10.1016/j.bmcl.2014.07.093]

45. Janganati V, Penthala NR, Madadi NR, Chen Z, Crooks PA..  (2014)  Anti-cancer activity of carbamate derivatives of melampomagnolide B.,  24  (15): [PMID:24928404] [10.1016/j.bmcl.2014.05.059]

46. Vadukoot AK, AbdulSalam SF, Wunderlich M, Pullen ED, Landero-Figueroa J, Mulloy JC, Merino EJ..  (2014)  Design of a hydrogen peroxide-activatable agent that specifically targets cancer cells.,  22  (24): [PMID:25464887] [10.1016/j.bmc.2014.10.029]

47. Penthala NR, Bommagani S, Janganati V, MacNicol KB, Cragle CE, Madadi NR, Hardy LL, MacNicol AM, Crooks PA..  (2014)  Heck products of parthenolide and melampomagnolide-B as anticancer modulators that modify cell cycle progression.,  85  [PMID:25117652] [10.1016/j.ejmech.2014.08.022]

48. Cocco M, Garella D, Di Stilo A, Borretto E, Stevanato L, Giorgis M, Marini E, Fantozzi R, Miglio G, Bertinaria M..  (2014)  Electrophilic warhead-based design of compounds preventing NLRP3 inflammasome-dependent pyroptosis.,  57  (24): [PMID:25418070] [10.1021/jm501072b]

49. Smit FJ, van Biljon RA, Birkholtz LM, N'Da DD..  (2015)  Synthesis and in vitro biological evaluation of dihydroartemisinyl-chalcone esters.,  90  [PMID:25461309] [10.1016/j.ejmech.2014.11.016]

50. Hexum JK, Becker CM, Kempema AM, Ohlfest JR, Largaespada DA, Harki DA..  (2015)  Parthenolide prodrug LC-1 slows growth of intracranial glioma.,  25  (12): [PMID:25978958] [10.1016/j.bmcl.2015.04.058]

51. Abdelazeem AH, Khan SI, White SW, Sufka KJ, McCurdy CR..  (2015)  Design, synthesis and biological evaluation of bivalent benzoxazolone and benzothiazolone ligands as potential anti-inflammatory/analgesic agents.,  23  (13): [PMID:25975638] [10.1016/j.bmc.2015.04.057]

52. Yang ZJ, Ge WZ, Li QY, Lu Y, Gong JM, Kuang BJ, Xi X, Wu H, Zhang Q, Chen Y..  (2015)  Syntheses and Biological Evaluation of Costunolide, Parthenolide, and Their Fluorinated Analogues.,  58  (17): [PMID:26226279] [10.1021/acs.jmedchem.5b00915]

53. Ramachandran PV, Helppi MA, Lehmkuhler AL, Marchi JM, Schmidt CM, Yip-Schneider MT..  (2015)  Factors influencing the cytotoxicity of α-methylene-γ-hydroxy esters against pancreatic cancer.,  25  (19): [PMID:26264501] [10.1016/j.bmcl.2015.07.087]

54. Janganati V, Ponder J, Jordan CT, Borrelli MJ, Penthala NR, Crooks PA..  (2015)  Dimers of Melampomagnolide B Exhibit Potent Anticancer Activity against Hematological and Solid Tumor Cells.,  58  (22): [PMID:26540463] [10.1021/acs.jmedchem.5b01187]

55. Rana S, Blowers EC, Tebbe C, Contreras JI, Radhakrishnan P, Kizhake S, Zhou T, Rajule RN, Arnst JL, Munkarah AR, Rattan R, Natarajan A..  (2016)  Isatin Derived Spirocyclic Analogues with α-Methylene-γ-butyrolactone as Anticancer Agents: A Structure-Activity Relationship Study.,  59  (10): [PMID:27077228] [10.1021/acs.jmedchem.6b00400]

56. Tyagi V, Alwaseem H, O'Dwyer KM, Ponder J, Li QY, Jordan CT, Fasan R..  (2016)  Chemoenzymatic synthesis and antileukemic activity of novel C9- and C14-functionalized parthenolide analogs.,  24  (17): [PMID:27396927] [10.1016/j.bmc.2016.06.028]

57. Albayati ZAF, Janganati V, Chen Z, Ponder J, Breen PJ, Jordan CT, Crooks PA..  (2017)  Identification of a melampomagnolide B analog as a potential lead molecule for treatment of acute myelogenous leukemia.,  25  (3): [PMID:28049618] [10.1016/j.bmc.2016.12.036]

58. Yang Z, Kuang B, Kang N, Ding Y, Ge W, Lian L, Gao Y, Wei Y, Chen Y, Zhang Q..  (2017)  Synthesis and anti-acute myeloid leukemia activity of C-14 modified parthenolide derivatives.,  127  [PMID:28068601] [10.1016/j.ejmech.2016.12.044]

59. Janganati V, Ponder J, Thakkar S, Jordan CT, Crooks PA..  (2017)  Succinamide derivatives of melampomagnolide B and their anti-cancer activities.,  25  (14): [PMID:28545815] [10.1016/j.bmc.2017.05.008]

60. Kimani NM, Matasyoh JC, Kaiser M, Brun R, Schmidt TJ..  (2018)  Antiprotozoal Sesquiterpene Lactones and Other Constituents from Tarchonanthus camphoratus and Schkuhria pinnata.,  81  (1): [PMID:29244495] [10.1021/acs.jnatprod.7b00747]

61. Ding Y, Guo H, Ge W, Chen X, Li S, Wang M, Chen Y, Zhang Q..  (2018)  Copper(I) oxide nanoparticles catalyzed click chemistry based synthesis of melampomagnolide B-triazole conjugates and their anti-cancer activities.,  156  [PMID:30006167] [10.1016/j.ejmech.2018.06.058]

62. Janganati V, Ponder J, Balasubramaniam M, Bhat-Nakshatri P, Bar EE, Nakshatri H, Jordan CT, Crooks PA..  (2018)  MMB triazole analogs are potent NF-κB inhibitors and anti-cancer agents against both hematological and solid tumor cells.,  157  [PMID:30121494] [10.1016/j.ejmech.2018.08.010]

63. Unpublished dataset, 

64. Bernhard Ellinger, Denisa Bojkova, Andrea Zaliani, Jindrich Cinatl, Carsten Claussen, Sandra Westhaus, Jeanette Reinshagen, Maria Kuzikov, Markus Wolf, Gerd Geisslinger, Philip Gribbon, Sandra Ciesek.  (2020)  Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collection,  [10.21203/rs.3.rs-23951/v1]

65. Ge W, Hao X, Han F, Liu Z, Wang T, Wang M, Chen N, Ding Y, Chen Y, Zhang Q..  (2019)  Synthesis and structure-activity relationship studies of parthenolide derivatives as potential anti-triple negative breast cancer agents.,  166  [PMID:30739826] [10.1016/j.ejmech.2019.01.058]

66. Ren Y, de Blanco EJC, Fuchs JR, Soejarto DD, Burdette JE, Swanson SM, Kinghorn AD..  (2019)  Potential Anticancer Agents Characterized from Selected Tropical Plants.,  82  (3): [PMID:30830783] [10.1021/acs.jnatprod.9b00018]

67. Ding Y, Xue Q, Liu S, Hu K, Wang D, Wang T, Li Y, Guo H, Hao X, Ge W, Zhang Y, Li A, Li J, Chen Y, Zhang Q..  (2020)  Identification of Parthenolide Dimers as Activators of Pyruvate Kinase M2 in Xenografts of Glioblastoma Multiforme in Vivo.,  63  (4): [PMID:31977207] [10.1021/acs.jmedchem.9b01328]

68. Niu J, Huang H, Wang F, Zhang X, Liu Y, Yu Q, Hu L..  (2019)  Synthetic derivatives of the natural product 13-amino 2-desoxy-4-epi-pulchellin inhibit STAT3 signaling and induce G2/M arrest and death of colon cancer cells.,  29  (6): [PMID:30711391] [10.1016/j.bmcl.2019.01.030]

69. Maria Kuzikov, Elisa Costanzi, Jeanette Reinshagen, Francesca Esposito, Laura Vangeel, Markus Wolf, Bernhard Ellinger, Carsten Claussen, Gerd Geisslinger, Angela Corona, Daniela Iaconis, Carmine Talarico, Candida Manelfi, Rolando Cannalire, Giulia Rossetti, Jonas Gossen, Simone Albani, Francesco Musiani, Katja Herzog, Yang Ye, Barbara Giabbai, Nicola Demitri, Dirk Jochmans, Steven De Jonghe, Jasper Rymenants, Vincenzo Summa, Enzo Tramontano, Andrea R. Beccari, Pieter Leyssen, Paola Storici, Johan Neyts, Philip Gribbon, and Andrea Zaliani.  (2020)  Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen,  [10.6019/CHEMBL4495564]

70. Maria Kuzikov, Elisa Costanzi, Jeanette Reinshagen, Francesca Esposito, Laura Vangeel, Markus Wolf, Bernhard Ellinger, Carsten Claussen, Gerd Geisslinger, Angela Corona, Daniela Iaconis, Carmine Talarico, Candida Manelfi, Rolando Cannalire, Giulia Rossetti, Jonas Gossen, Simone Albani, Francesco Musiani, Katja Herzog, Yang Ye, Barbara Giabbai, Nicola Demitri, Dirk Jochmans, Steven De Jonghe, Jasper Rymenants, Vincenzo Summa, Enzo Tramontano, Andrea R. Beccari, Pieter Leyssen, Paola Storici, Johan Neyts, Philip Gribbon, and Andrea Zaliani.  (2020)  Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen,  [10.6019/CHEMBL4495564]

71. Andrea Zaliani, Laura Vangeel, Jeanette Reinshagen, Daniela Iaconis, Maria Kuzikov, Oliver Keminer, Markus Wolf, Bernhard Ellinger, Francesca Esposito, Angela Corona, Enzo Tramontano, Candida Manelfi, Katja Herzog, Dirk Jochmans, Steven De Jonghe, Winston Chiu, Thibault Francken, Joost Schepers, Caroline Collard, Kayvan Abbasi, Carsten Claussen , Vincenzo Summa, Andrea R. Beccari, Johan Neyts, Philip Gribbon and Pieter Leyssen.  (2020)  Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effort,  [10.6019/CHEMBL4495565]

72. Andrea Zaliani, Laura Vangeel, Jeanette Reinshagen, Daniela Iaconis, Maria Kuzikov, Oliver Keminer, Markus Wolf, Bernhard Ellinger, Francesca Esposito, Angela Corona, Enzo Tramontano, Candida Manelfi, Katja Herzog, Dirk Jochmans, Steven De Jonghe, Winston Chiu, Thibault Francken, Joost Schepers, Caroline Collard, Kayvan Abbasi, Carsten Claussen , Vincenzo Summa, Andrea R. Beccari, Johan Neyts, Philip Gribbon and Pieter Leyssen.  (2020)  Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effort,  [10.6019/CHEMBL4495565]

73. Ren Y,Kinghorn AD.  (2020)  Development of Potential Antitumor Agents from the Scaffolds of Plant-Derived Terpenoid Lactones.,  63  (24.0): [PMID:33289552] [10.1021/acs.jmedchem.0c01449]

74. Bernhard Ellinger, Justus Dick, Vanessa Lage-Rupprecht, Bruce Schultz, Andrea Zaliani, Marcin Namysl, Stephan Gebel, Ole Pless, Jeanette Reinshagen, Christian Ebeling, Alexander Esser, Marc Jacobs, Carsten Claussen, and Martin Hofmann-Apitius.  (2021)  HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators,  [10.6019/CHEMBL4808148]

75. Dziwornu GA, Attram HD, Gachuhi S, Chibale K..  (2020)  Chemotherapy for human schistosomiasis: how far have we come? What's new? Where do we go from here?,  11  (4.0): [PMID:33479649] [10.1039/D0MD00062K]

76. Liu X, Wang C, Li S, Qu L, Yin F, Lu D, Luo H, Chen X, Luo Z, Cui N, Wang X, Kong L..  (2021)  Parthenolide Derivatives as PKM2 Activators Showing Potential in Colorectal Cancer.,  64  (23.0): [PMID:34847663] [10.1021/acs.jmedchem.1c01380]

77. Penthala NR, Balasubramaniam M, Dachavaram SS, Morris EJ, Bhat-Nakshatri P, Ponder J, Jordan CT, Nakshatri H, Crooks PA..  (2021)  Antitumor properties of novel sesquiterpene lactone analogs as NFκB inhibitors that bind to the IKKβ ubiquitin-like domain (ULD).,  224  [PMID:34229108] [10.1016/j.ejmech.2021.113675]

Source

Source(6):

• Scientific Literature
• Sanger Institute Genomics of Drug Sensitivity in Cancer
• Clinical Candidates
• DrugMatrix
• SARS-CoV-2 Screening Data 2020-21
• Fraunhofer HDAC6