The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
ID: ALA443375
Max Phase: Preclinical
Molecular Formula: C12H11NOS2
Molecular Weight: 249.36
Molecule Type: Small molecule
Associated Items:
Representations Canonical SMILES: CCc1ccc(/C=C2\SC(=S)NC2=O)cc1
Standard InChI: InChI=1S/C12H11NOS2/c1-2-8-3-5-9(6-4-8)7-10-11(14)13-12(15)16-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7-
Standard InChI Key: SVXDHPADAXBMFB-YFHOEESVSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Properties Molecular Weight: 249.36Molecular Weight (Monoisotopic): 249.0282AlogP: 2.74#Rotatable Bonds: 2Polar Surface Area: 29.10Molecular Species: ACIDHBA: 3HBD: 1#RO5 Violations: 0HBA (Lipinski): 2HBD (Lipinski): 1#RO5 Violations (Lipinski): 0CX Acidic pKa: 4.93CX Basic pKa: CX LogP: 3.70CX LogD: 1.87Aromatic Rings: 1Heavy Atoms: 16QED Weighted: 0.65Np Likeness Score: -1.61
References 1. Mustata G, Follis AV, Hammoudeh DI, Metallo SJ, Wang H, Prochownik EV, Lazo JS, Bahar I.. (2009) Discovery of novel Myc-Max heterodimer disruptors with a three-dimensional pharmacophore model., 52 (5): [PMID:19215087 ] [10.1021/jm801278g ] 2. Follis AV, Hammoudeh DI, Daab AT, Metallo SJ.. (2009) Small-molecule perturbation of competing interactions between c-Myc and Max., 19 (3): [PMID:19114306 ] [10.1016/j.bmcl.2008.12.025 ] 3. Yap JL, Chauhan J, Jung K, Chen L, Prochownik EV, Fletcher S. (2012) Small-molecule inhibitors of dimeric transcription factors: Antagonism of proteinprotein and proteinDNA interactions, 3 (5): [10.1039/C2MD00289B ] 4. Jung KY, Wang H, Teriete P, Yap JL, Chen L, Lanning ME, Hu A, Lambert LJ, Holien T, Sundan A, Cosford ND, Prochownik EV, Fletcher S.. (2015) Perturbation of the c-Myc-Max protein-protein interaction via synthetic α-helix mimetics., 58 (7): [PMID:25734936 ] [10.1021/jm501440q ] 5. (2011) Low molecular weight MYC-MAX inhibitors, 6. (2014) Linked Myc-max small molecule inhibitors, 7. Carabet LA, Lallous N, Leblanc E, Ban F, Morin H, Lawn S, Ghaidi F, Lee J, Mills IG, Gleave ME, Rennie PS, Cherkasov A.. (2018) Computer-aided drug discovery of Myc-Max inhibitors as potential therapeutics for prostate cancer., 160 [PMID:30326371 ] [10.1016/j.ejmech.2018.09.023 ]
