Compound 2
Identifiers
- Canonical SMILES:
NC(=N)N[C@H](C1CCCCC1)C(=O)NCC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
- IUPAC name:
(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
- InChi:
InChI=1S/C25H33Cl2N7O2/c26-17-6-7-18(19(27)12-17)21-13-20(32-33-21)15-8-10-34(11-9-15)22(35)14-30-24(36)23(31-25(28)29)16-4-2-1-3-5-16/h6-7,12-13,15-16,23H,1-5,8-11,14H2,(H,30,36)(H,32,33)(H4,28,29,31)/t23-/m1/s1
- InChiKey:
CRBHPAAKAZMYPT-HSZRJFAPSA-N
External links
11156875 |
CHEMBL106518 |
9331983 |
External search
Bibliography (1)
Pharmacological data
Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
---|---|---|---|
1 | 0 | 0 | 0 |
Targets
PPI family | Best activity | Diseases | MMoA |
---|---|---|---|
IL2 / IL2R | 5.00 | immune system disease | Inhibition |
Physicochemical filters
Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
---|---|---|---|---|
Compliance | ||||
MW | 533.21 g/mol | |||
HBA | 9 | |||
HBD | 6 | |||
HBA + HBD | 15 | |||
AlogP | 2.89 | |||
TPSA | 139.99 | |||
RB | 7 |