CHEMBL94964 [474474]
CHEMBL94964
| SMILES | Cc1cc(C)nc(O[C@H](C(=O)O)[C@@]2(c3ccccc3)NCC(=O)N(Cc3nn[nH]n3)c3ccccc32)n1 |
| InChIKey | PQGJCQZVHZMJFI-RDGATRHJSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 7 |
| Log P | 1.519 |
| Molecular weight (Da) | 500.2 |
| Stereochemistry info | partial |
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 |
CHEMBL94964
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