RWJ-56110
SMILES | NCC[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](Cc1ccc(c(c1)F)F)NC(=O)Nc1ccc2c(c1)n(Cc1c(Cl)cccc1Cl)cc2CN1CCCC1 |
InChIKey | SWPAWRHBFNDXEU-BCRBLDSWSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 5 |
Rotatable bonds | 15 |
Molecular weight (Da) | 789.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
PAR1 | PAR1 | Human | Proteinase-activated | A | pIC50 | 6.36 | 6.36 | 6.36 | ChEMBL |
PAR1 | PAR1 | Human | Proteinase-activated | A | pIC50 | 6.36 | 6.36 | 6.36 | Guide to Pharmacology |