Compound 9
Identifiers
- Canonical SMILES:
C[C@H](N)C(=O)Nc1ccc2c(C)cc(C)nc2n1
- IUPAC name:
(2S)-2-amino-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)propanamide
- InChi:
InChI=1S/C13H16N4O/c1-7-6-8(2)15-12-10(7)4-5-11(16-12)17-13(18)9(3)14/h4-6,9H,14H2,1-3H3,(H,15,16,17,18)/t9-/m0/s1
- InChiKey:
NEVIWLQURZYMJU-VIFPVBQESA-N
External links
23646344 |
CHEMBL180851 |
23246988 |
External search
Bibliography (1)
Publication | Name |
---|---|
Park CM, Sun C, Olejniczak ET, Wilson AE, Meadows RP, Betz SF, Elmore SW, Fesik SW. . Non-peptidic small molecule inhibitors of XIAP. Bioorganic & medicinal chemistry letters. | 8 |
Pharmacological data
Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
---|---|---|---|
1 | 0 | 0 | 0 |
Targets
PPI family | Best activity | Diseases | MMoA |
---|---|---|---|
XIAP / Smac | 4.70 | cancer | Inhibition |
Physicochemical filters
Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
---|---|---|---|---|
Compliance | ||||
MW | 244.13 g/mol | |||
HBA | 5 | |||
HBD | 3 | |||
HBA + HBD | 8 | |||
AlogP | 1.36 | |||
TPSA | 80.90 | |||
RB | 2 |