CHEMBL3700569 [260633]
CHEMBL3700569
| SMILES | Cc1cc(CN(C(C)c2ccc3c(c2)CCO3)[C@H]2C[C@@H](C(=O)O)C2)ccc1OCCn1c(=O)ccn(C)c1=O |
| InChIKey | VWPVQPLAYPSLDG-DKDGFOABSA-N |
Chemical Properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Log P | 3.296 |
| Molecular weight (Da) | 533.3 |
| Stereochemistry info | unspecified |
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 |
CHEMBL3700569
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