Compound 7
Identifiers
- Canonical SMILES:
Cc1cc2CN(CCc2c(C)c1C(=O)N[C@@H](CNC(=O)c1cccs1)C(O)=O)C(=O)c1ccc(Cl)cc1
- InChi:
InChI=1S/C27H26ClN3O5S/c1-15-12-18-14-31(26(34)17-5-7-19(28)8-6-17)10-9-20(18)16(2)23(15)25(33)30-21(27(35)36)13-29-24(32)22-4-3-11-37-22/h3-8,11-12,21H,9-10,13-14H2,1-2H3,(H,29,32)(H,30,33)(H,35,36)/t21-/m0/s1
- InChiKey:
YATCZKNVHQPYSO-NRFANRHFSA-N
External search
![]() |
![]() |
![]() |
![]() |
![]() |
Bibliography (1)
Pharmacological data
Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
---|---|---|---|
0 | 1 | 0 | 0 |
Targets
PPI family | Best activity | Diseases | MMoA |
---|---|---|---|
LFA / ICAM | 7.66 | immune system disease | Inhibition |
Physicochemical filters
Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
---|---|---|---|---|
Compliance | ||||
MW | 539.13 g/mol | |||
HBA | 8 | |||
HBD | 3 | |||
HBA + HBD | 11 | |||
AlogP | 4.22 | |||
TPSA | 115.81 | |||
RB | 7 |