Compound 29
Identifiers
- Canonical SMILES:
CCOc1cc(Nc2ccnc3[C@H](O)CCCc23)ccc1NCCc1c[nH]c2cc(OC)ccc12
- IUPAC name:
4-[3-ethoxy-4-[2-(6-methoxy-1H-indol-3-yl)ethylamino]anilino]-5,6,7,8-tetrahydroquinolin-8-ol
- InChi:
InChI=1S/C28H32N4O3/c1-3-35-27-15-19(32-23-12-14-30-28-22(23)5-4-6-26(28)33)7-10-24(27)29-13-11-18-17-31-25-16-20(34-2)8-9-21(18)25/h7-10,12,14-17,26,29,31,33H,3-6,11,13H2,1-2H3,(H,30,32)/t26-/m1/s1
- InChiKey:
UQZCXLZZFZIPMT-AREMUKBSSA-N
External links
59555725 |
External search
Bibliography (1)
Pharmacological data
Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
---|---|---|---|
1 | 1 | 0 | 0 |
Targets
PPI family | Best activity | Diseases | MMoA |
---|---|---|---|
MDM2-Like / P53 | 7.00 | cancer | Inhibition |
Physicochemical filters
Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
---|---|---|---|---|
Compliance | ||||
MW | 472.25 g/mol | |||
HBA | 7 | |||
HBD | 4 | |||
HBA + HBD | 11 | |||
AlogP | 4.28 | |||
TPSA | 91.43 | |||
RB | 9 |