Compound 10
Identifiers
- Canonical SMILES:
CN[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CC[C@@H]2[C@H]1[C@H](CN2c1ncccn1)c1c[nH]c2cc(F)ccc12
- IUPAC name:
(2S)-N-[(2S,3R)-1-[(3aR,6S,6aR)-6-(6-fluoro-1H-indol-3-yl)-4-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-3-hydroxy-1-oxobutan-2-yl]-2-(methylamino)propanamide
- InChi:
InChI=1S/C26H32FN7O3/c1-14(28-3)24(36)32-22(15(2)35)25(37)33-10-7-21-23(33)19(13-34(21)26-29-8-4-9-30-26)18-12-31-20-11-16(27)5-6-17(18)20/h4-6,8-9,11-12,14-15,19,21-23,28,31,35H,7,10,13H2,1-3H3,(H,32,36)/t14-,15+,19+,21+,22-,23+/m0/s1
- InChiKey:
BSULVKBAPZHEJF-ZKQQCHMPSA-N
External links
45138849 |
External search
Bibliography (1)
Publication | Name |
---|---|
Stephen M. Condon, Matthew G. Laporte, Tetralogic Pharmaceuticals Corp.. . Iap inhibitors None. | 82 |
Pharmacological data
Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
---|---|---|---|
1 | 0 | 0 | 0 |
Targets
PPI family | Best activity | Diseases | MMoA |
---|---|---|---|
XIAP / Smac | 7.00 | cancer | Inhibition |
Physicochemical filters
Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
---|---|---|---|---|
Compliance | ||||
MW | 509.26 g/mol | |||
HBA | 10 | |||
HBD | 4 | |||
HBA + HBD | 14 | |||
AlogP | 0.74 | |||
TPSA | 126.48 | |||
RB | 7 |