Galeterone

Description: Galeterone (formerly known as NX 41765; TOK001; VN/124-1; NX-41765; VN-1241; TOK-001) is a novel, potent and selective, orally bioavailable CYP17 lyase inhibitor and androgen receptor (AR) antagonist with potential anticancer activity. It inhibits CYP17 and AR with IC50s of 300 nM and 384 nM, respectively.

References: J Med Chem. 2005 Apr 21; 48(8):2972-84; Mol Cancer Ther. 2008 Aug; 7(8):2348-57.

Chemical Name: (3S, 8R, 9S, 10R, 13S, 14S)-17-(1H-benzo[d]imidazol-1-yl)-10, 13-dimethyl-2, 3, 4, 7, 8, 9, 10, 11, 12, 13, 14, 15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

InChi Key: PAFKTGFSEFKSQG-PAASFTFBSA-N

InChi Code: InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20, 2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7, 10, 16, 18-21, 29H, 8-9, 11-15H2, 1-2H3/t18-, 19-, 20-, 21-, 25-, 26-/m0/s1

SMILES Code: O[CH]1CC[C]2(C)[C]3([H])CC[C]4(C)C(N5C=NC6=CC=CC=C56)=CC[C]4([H])[C]3([H])CC=C2C1