ID: ALA276711

Max Phase: Phase

Molecular Formula: C15H14N2O

Molecular Weight: 238.29

Molecule Type: Small molecule

Representations

Synonyms (7): Semaxanib | Semaxinib | Su-5416 | NSC-696819 | SU-5416 | SU005416 | SU5416
Synonyms from Alternative Forms(7):

Canonical SMILES:  Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1

Standard InChI:  InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-

Standard InChI Key:  WUWDLXZGHZSWQZ-WQLSENKSSA-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: 238.29

Molecular Weight (Monoisotopic): 238.1106

AlogP: 3.12

#Rotatable Bonds: 1

Polar Surface Area: 44.89

Molecular Species: NEUTRAL

HBA: 1

HBD: 2

#RO5 Violations: 0

HBA (Lipinski): 3

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 11.29

CX Basic pKa:

CX LogP: 2.98

CX LogD: 2.98

Aromatic Rings: 2

Heavy Atoms: 18

QED Weighted: 0.74

Np Likeness Score: -0.24

References

1. Sun L, Liang C, Shirazian S, Zhou Y, Miller T, Cui J, Fukuda JY, Chu JY, Nematalla A, Wang X, Chen H, Sistla A, Luu TC, Tang F, Wei J, Tang C..  (2003)  Discovery of 5-[5-fluoro-2-oxo-1,2- dihydroindol-(3Z)-ylidenemethyl]-2,4- dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl)amide, a novel tyrosine kinase inhibitor targeting vascular endothelial and platelet-derived growth factor receptor tyrosine kinase.,  46  (7): [PMID:12646019] [10.1021/jm0204183]

2. Bold G, Altmann KH, Frei J, Lang M, Manley PW, Traxler P, Wietfeld B, Brüggen J, Buchdunger E, Cozens R, Ferrari S, Furet P, Hofmann F, Martiny-Baron G, Mestan J, Rösel J, Sills M, Stover D, Acemoglu F, Boss E, Emmenegger R, Lässer L, Masso E, Roth R, Schlachter C, Vetterli W..  (2000)  New anilinophthalazines as potent and orally well absorbed inhibitors of the VEGF receptor tyrosine kinases useful as antagonists of tumor-driven angiogenesis.,  43  (12): [PMID:10882357] [10.1021/jm9909443]

3. Sun L, Tran N, Tang F, App H, Hirth P, McMahon G, Tang C..  (1998)  Synthesis and biological evaluations of 3-substituted indolin-2-ones: a novel class of tyrosine kinase inhibitors that exhibit selectivity toward particular receptor tyrosine kinases.,  41  (14): [PMID:9651163] [10.1021/jm980123i]

4. Sun L, Tran N, Liang C, Hubbard S, Tang F, Lipson K, Schreck R, Zhou Y, McMahon G, Tang C..  (2000)  Identification of substituted 3-[(4,5,6, 7-tetrahydro-1H-indol-2-yl)methylene]-1,3-dihydroindol-2-ones as growth factor receptor inhibitors for VEGF-R2 (Flk-1/KDR), FGF-R1, and PDGF-Rbeta tyrosine kinases.,  43  (14): [PMID:10893303] [10.1021/jm9906116]

5. Sun L, Tran N, Liang C, Tang F, Rice A, Schreck R, Waltz K, Shawver LK, McMahon G, Tang C..  (1999)  Design, synthesis, and evaluations of substituted 3-[(3- or 4-carboxyethylpyrrol-2-yl)methylidenyl]indolin-2-ones as inhibitors of VEGF, FGF, and PDGF receptor tyrosine kinases.,  42  (25): [PMID:10602697] [10.1021/jm9904295]

6. Manley PW, Furet P, Bold G, Brüggen J, Mestan J, Meyer T, Schnell CR, Wood J, Haberey M, Huth A, Krüger M, Menrad A, Ottow E, Seidelmann D, Siemeister G, Thierauch KH..  (2002)  Anthranilic acid amides: a novel class of antiangiogenic VEGF receptor kinase inhibitors.,  45  (26): [PMID:12477352] [10.1021/jm020899q]

7. Bouérat L, Fensholdt J, Liang X, Havez S, Nielsen SF, Hansen JR, Bolvig S, Andersson C..  (2005)  Indolin-2-ones with high in vivo efficacy in a model for multiple sclerosis.,  48  (17): [PMID:16107139] [10.1021/jm0504151]

8. Li PK, Xiao Z, Hu Z, Pandit B, Sun Y, Sackett DL, Werbovetz K, Lewis A, Johnsamuel J..  (2005)  Conformationally restricted analogs of Combretastatin A-4 derived from SU5416.,  15  (24): [PMID:16213720] [10.1016/j.bmcl.2005.09.001]

9. Yu H, Wang Z, Zhang L, Zhang J, Huang Q..  (2007)  Pharmacophore modeling and in silico screening for new KDR kinase inhibitors.,  17  (8): [PMID:17306530] [10.1016/j.bmcl.2007.01.089]

10. Maskell L, Blanche EA, Colucci MA, Whatmore JL, Moody CJ..  (2007)  Synthesis and evaluation of prodrugs for anti-angiogenic pyrrolylmethylidenyl oxindoles.,  17  (6): [PMID:17254788] [10.1016/j.bmcl.2006.12.108]

11. Gangjee A, Namjoshi OA, Yu J, Ihnat MA, Thorpe JE, Warnke LA..  (2008)  Design, synthesis and biological evaluation of substituted pyrrolo[2,3-d]pyrimidines as multiple receptor tyrosine kinase inhibitors and antiangiogenic agents.,  16  (10): [PMID:18467105] [10.1016/j.bmc.2008.04.019]

12. Sanam R, Vadivelan S, Tajne S, Narasu L, Rambabu G, Jagarlapudi SA..  (2009)  Discovery of potential ZAP-70 kinase inhibitors: pharmacophore design, database screening and docking studies.,  44  (12): [PMID:19674816] [10.1016/j.ejmech.2009.07.018]

13. Kniess T, Bergmann R, Kuchar M, Steinbach J, Wuest F..  (2009)  Synthesis and radiopharmacological investigation of 3-[4'-[(18)F]fluorobenzylidene]indolin-2-one as possible tyrosine kinase inhibitor.,  17  (22): [PMID:19822433] [10.1016/j.bmc.2009.09.038]

14. Gangjee A, Li W, Lin L, Zeng Y, Ihnat M, Warnke LA, Green DW, Cody V, Pace J, Queener SF..  (2009)  Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.,  17  (20): [PMID:19748785] [10.1016/j.bmc.2009.08.044]

15. Mologni L, Rostagno R, Brussolo S, Knowles PP, Kjaer S, Murray-Rust J, Rosso E, Zambon A, Scapozza L, McDonald NQ, Lucchini V, Gambacorti-Passerini C..  (2010)  Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.,  18  (4): [PMID:20117004] [10.1016/j.bmc.2010.01.011]

16. Gangjee A, Zaware N, Raghavan S, Ihnat M, Shenoy S, Kisliuk RL..  (2010)  Single agents with designed combination chemotherapy potential: synthesis and evaluation of substituted pyrimido[4,5-b]indoles as receptor tyrosine kinase and thymidylate synthase inhibitors and as antitumor agents.,  53  (4): [PMID:20092323] [10.1021/jm9011142]

17. Gangjee A, Kurup S, Ihnat MA, Thorpe JE, Shenoy SS..  (2010)  Synthesis and biological activity of N(4)-phenylsubstituted-6-(2,4-dichloro phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines as vascular endothelial growth factor receptor-2 inhibitors and antiangiogenic and antitumor agents.,  18  (10): [PMID:20403700] [10.1016/j.bmc.2010.03.052]

18. Gangjee A, Namjoshi OA, Ihnat MA, Buchanan A..  (2010)  The contribution of a 2-amino group on receptor tyrosine kinase inhibition and antiangiogenic activity in 4-anilinosubstituted pyrrolo[2,3-d]pyrimidines.,  20  (10): [PMID:20403693] [10.1016/j.bmcl.2010.03.064]

19. Christodoulou MS, Liekens S, Kasiotis KM, Haroutounian SA..  (2010)  Novel pyrazole derivatives: synthesis and evaluation of anti-angiogenic activity.,  18  (12): [PMID:20493716] [10.1016/j.bmc.2010.04.076]

20. Bayliss PE, Bellavance KL, Whitehead GG, Abrams JM, Aegerter S, Robbins HS, Cowan DB, Keating MT, O'Reilly T, Wood JM, Roberts TM, Chan J..  (2006)  Chemical modulation of receptor signaling inhibits regenerative angiogenesis in adult zebrafish.,  2  (5): [PMID:16565716] [10.1038/nchembio778]

21. Gangjee A, Zhao Y, Raghavan S, Ihnat MA, Disch BC..  (2010)  Design, synthesis and evaluation of 2-amino-4-m-bromoanilino-6-arylmethyl-7H-pyrrolo[2,3-d]pyrimidines as tyrosine kinase inhibitors and antiangiogenic agents.,  18  (14): [PMID:20558072] [10.1016/j.bmc.2010.05.049]

22. 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]

23. 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]

24. PubChem BioAssay data set, 

25. PubChem BioAssay data set, 

26. PubChem BioAssay data set, 

27. PubChem BioAssay data set, 

28. Evans CA, Jolivette LJ, Nagilla R, Ward KW..  (2006)  Extrapolation of preclinical pharmacokinetics and molecular feature analysis of "discovery-like" molecules to predict human pharmacokinetics.,  34  (7): [PMID:16621936] [10.1124/dmd.105.006619]

29. Fourches D, Barnes JC, Day NC, Bradley P, Reed JZ, Tropsha A..  (2010)  Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.,  23  (1): [PMID:20014752] [10.1021/tx900326k]

30. PubChem BioAssay data set, 

31. Okamoto M, Kojima H, Saito N, Okabe T, Masuda Y, Furuya T, Nagano T..  (2011)  Virtual screening and further development of novel ALK inhibitors.,  19  (10): [PMID:21515061] [10.1016/j.bmc.2011.04.008]

32. Gangjee A, Kurup S, Ihnat MA, Thorpe JE, Disch B..  (2012)  N⁴-Aryl-6-substitutedphenylmethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines as receptor tyrosine kinase inhibitors.,  20  (2): [PMID:22204741] [10.1016/j.bmc.2011.11.058]

33. Gangjee A, Zaware N, Raghavan S, Yang J, Thorpe JE, Ihnat MA..  (2012)  N⁴-(3-Bromophenyl)-7-(substituted benzyl) pyrrolo[2,3-d]pyrimidines as potent multiple receptor tyrosine kinase inhibitors: design, synthesis, and in vivo evaluation.,  20  (7): [PMID:22370340] [10.1016/j.bmc.2012.01.029]

34. PubChem BioAssay data set, 

35. Gangjee A, Zhao Y, Ihnat MA, Thorpe JE, Bailey-Downs LC, Kisliuk RL..  (2012)  Novel tricyclic indeno[2,1-d]pyrimidines with dual antiangiogenic and cytotoxic activities as potent antitumor agents.,  20  (14): [PMID:22739090] [10.1016/j.bmc.2012.05.068]

36. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 

37. Ilić M, Ilaš J, Dunkel P, Mátyus P, Boháč A, Liekens S, Kikelj D..  (2012)  Novel 1,4-benzoxazine and 1,4-benzodioxine inhibitors of angiogenesis.,  58  [PMID:23124213] [10.1016/j.ejmech.2012.10.001]

38. Gao Y, Davies SP, Augustin M, Woodward A, Patel UA, Kovelman R, Harvey KJ..  (2013)  A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.,  451  (2): [PMID:23398362] [10.1042/bj20121418]

39. Nosaka C, Adachi H, Sawa R, Nakae K, Atsumi S, Kinoshita N, Kubota Y, Igarashi M, Sei Y, Yamaguchi K, Shibuya M, Nishimura Y, Akamatsu Y..  (2013)  Vegfrecine, an inhibitor of VEGF receptor tyrosine kinases isolated from the culture broth of Streptomyces sp.,  76  (4): [PMID:23414235] [10.1021/np300535c]

40. Gangjee A, Namjoshi OA, Yu J, Ihnat MA, Thorpe JE, Bailey-Downs LC..  (2013)  N2-Trimethylacetyl substituted and unsubstituted-N4-phenylsubstituted-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines: design, cellular receptor tyrosine kinase inhibitory activities and in vivo evaluation as antiangiogenic, antimetastatic and antitumor agents.,  21  (5): [PMID:23375090] [10.1016/j.bmc.2012.12.045]

41. Gangjee A, Zaware N, Raghavan S, Disch BC, Thorpe JE, Bastian A, Ihnat MA..  (2013)  Synthesis and biological activity of 5-chloro-N⁴-substituted phenyl-9H-pyrimido[4,5-b]indole-2,4-diamines as vascular endothelial growth factor receptor-2 inhibitors and antiangiogenic agents.,  21  (7): [PMID:23434139] [10.1016/j.bmc.2013.01.040]

42. Wang ZC, Qin YJ, Wang PF, Yang YA, Wen Q, Zhang X, Qiu HY, Duan YT, Wang YT, Sang YL, Zhu HL..  (2013)  Sulfonamides containing coumarin moieties selectively and potently inhibit carbonic anhydrases II and IX: design, synthesis, inhibitory activity and 3D-QSAR analysis.,  66  [PMID:23777898] [10.1016/j.ejmech.2013.04.035]

43. PubChem BioAssay data set, 

44. Gangjee A, Pavana RK, Ihnat MA, Thorpe JE, Disch BC, Bastian A, Bailey-Downs LC, Hamel E, Bai R..  (2014)  Discovery of antitubulin agents with antiangiogenic activity as single entities with multitarget chemotherapy potential.,  5  (5): [PMID:24900865] [10.1021/ml4004793]

45. Zhang X, Raghavan S, Ihnat M, Thorpe JE, Disch BC, Bastian A, Bailey-Downs LC, Dybdal-Hargreaves NF, Rohena CC, Hamel E, Mooberry SL, Gangjee A..  (2014)  The design and discovery of water soluble 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as multitargeted receptor tyrosine kinase inhibitors and microtubule targeting antitumor agents.,  22  (14): [PMID:24890652] [10.1016/j.bmc.2014.04.049]

46. Zhang X, Raghavan S, Ihnat M, Hamel E, Zammiello C, Bastian A, Mooberry SL, Gangjee A..  (2015)  The design, synthesis and biological evaluation of conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as multi-targeted receptor tyrosine kinase and microtubule inhibitors as potential antitumor agents.,  23  (10): [PMID:25882519] [10.1016/j.bmc.2015.03.061]

47. Unpublished dataset, 

48. Patel H, Chuckowree I, Coxhead P, Guille M, Wang M, Zuckermann A, Williams RSB, Librizzi M, Paranal RM, Bradner JE, Spencer J.  (2014)  Synthesis of hybrid anticancer agents based on kinase and histone deacetylase inhibitors,  5  (12): [10.1039/C4MD00211C]

49. Salerno S, Marini AM, Fornaciari G, Simorini F, La Motta C, Taliani S, Sartini S, Da Settimo F, García-Argáez AN, Gia O, Cosconati S, Novellino E, D'Ocon P, Fioravanti A, Orlandi P, Bocci G, Dalla Via L..  (2015)  Investigation of new 2-aryl substituted Benzothiopyrano[4,3-d]pyrimidines as kinase inhibitors targeting vascular endothelial growth factor receptor 2.,  103  [PMID:26318056] [10.1016/j.ejmech.2015.08.027]

50. Kirk NS, Bezos A, Willis AC, Sudta P, Suksamrarn S, Parish CR, Ranson M, Kelso MJ..  (2016)  Synthesis and preliminary evaluation of 5,7-dimethyl-2-aryl-3H-pyrrolizin-3-ones as angiogenesis inhibitors.,  26  (7): [PMID:26912111] [10.1016/j.bmcl.2016.02.033]

51.  (2016)  Tricyclic compounds having cytostatic and/or cytotoxic activity and methods of use thereof, 

52. Pavana RK, Choudhary S, Bastian A, Ihnat MA, Bai R, Hamel E, Gangjee A..  (2017)  Discovery and preclinical evaluation of 7-benzyl-N-(substituted)-pyrrolo[3,2-d]pyrimidin-4-amines as single agents with microtubule targeting effects along with triple-acting angiokinase inhibition as antitumor agents.,  25  (2): [PMID:27894589] [10.1016/j.bmc.2016.11.026]

53. Zaware N, Kisliuk R, Bastian A, Ihnat MA, Gangjee A..  (2017)  Synthesis and evaluation of 5-(arylthio)-9H-pyrimido[4,5-b]indole-2,4-diamines as receptor tyrosine kinase and thymidylate synthase inhibitors and as antitumor agents.,  27  (7): [PMID:28258797] [10.1016/j.bmcl.2017.02.018]

54. Salerno S, García-Argáez AN, Barresi E, Taliani S, Simorini F, La Motta C, Amendola G, Tomassi S, Cosconati S, Novellino E, Da Settimo F, Marini AM, Via LD..  (2018)  New insights in the structure-activity relationships of 2-phenylamino-substituted benzothiopyrano[4,3-d]pyrimidines as kinase inhibitors.,  150  [PMID:29547832] [10.1016/j.ejmech.2018.03.013]

55. Devambatla RKV, Choudhary S, Ihnat M, Hamel E, Mooberry SL, Gangjee A..  (2018)  Design, synthesis and preclinical evaluation of 5-methyl-N4-aryl-furo[2,3-d]pyrimidines as single agents with combination chemotherapy potential.,  28  (18): [PMID:30098869] [10.1016/j.bmcl.2018.07.039]

56. Jiang X, Zhou J, Lin Q, Gong G, Sun H, Liu W, Guo Q, Feng F, Qu W..  (2018)  Anti-angiogenic and anticancer effects of baicalein derivatives based on transgenic zebrafish model.,  26  (15): [PMID:30098912] [10.1016/j.bmc.2018.07.037]

57. 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]

58. Salerno S, Barresi E, García-Argáez AN, Taliani S, Simorini F, Amendola G, Tomassi S, Cosconati S, Novellino E, Da Settimo F, Marini AM, Dalla Via L..  (2019)  Discovery of Pyrido[3',2':5,6]thiopyrano[4,3-d]pyrimidine-Based Antiproliferative Multikinase Inhibitors.,  10  (4): [PMID:30996779] [10.1021/acsmedchemlett.8b00499]

59. Guan L, Zhou J, Lin Q, Zhu H, Liu W, Liu B, Zhang Y, Zhang J, Gao J, Feng F, Qu W..  (2019)  Design, synthesis and antitumour and anti-angiogenesis evaluation of 22 moscatilin derivatives.,  27  (12): [PMID:31047774] [10.1016/j.bmc.2019.04.027]

60. 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]

61. 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]

62. 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]

63. 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]

64. Ellen Van Damme.  (2021)  Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activity,  [10.6019/CHEMBL4651402]

65. 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]

Source

Source(8):

• Scientific Literature
• PubChem BioAssays
• Clinical Candidates
• USP Dictionary of USAN and International Drug Names
• BindingDB Database
• SARS-CoV-2 Screening Data 2020-21
• IMI-CARE SARS-CoV-2 Data
• Fraunhofer HDAC6