CHEMBL3900040 [290436]
CHEMBL3900040
| SMILES | COc1cc(CN(Cc2ccc(C(=O)O)cc2)C(c2ccc3c(c2)CCO3)C2CCCC2)ccc1OCCN1C(=O)CCC1=O |
| InChIKey | BCCPZEORNLYAAK-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 13 |
| Log P | 5.790 |
| Molecular weight (Da) | 612.3 |
| 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 |
CHEMBL3900040
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