CHEMBL5743430 [405220]
CHEMBL5743430
| SMILES | COc1nccc(-c2cc3cc(C(=O)N4CCc5nn(-c6cc(C)c(F)c(C)c6)c(-n6ccn(-c7ccc8c(cnn8C)c7)c6=O)c5[C@@H]4C)n([C@@]4(c5noc(=O)[nH]5)C[C@@H]4C)c3cc2F)c1C |
| InChIKey | SWHPWNTVABTLTA-VVKXFPHTSA-N |
Chemical Properties
| Hydrogen bond acceptors | 14 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Log P | 7.149 |
| Molecular weight (Da) | 891.3 |
| Stereochemistry info | full |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL5743430
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0