CHEMBL5811516 [411771]
CHEMBL5811516
| SMILES | COc1cnc(-c2ccc(-c3cccc4c3CC[C@H]4Nc3cnc([C@H]4C[C@@H]4C(=O)O)cn3)cc2)cn1 |
| InChIKey | LFTJWPDYAUZGLA-RJGXRXQPSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Log P | 4.897 |
| Molecular weight (Da) | 479.2 |
| 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 |
CHEMBL5811516
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