CHEMBL4061110 [311868]
CHEMBL4061110
| SMILES | CCCCOc1ccc2c(c1)c(=O)c(Cc1cccc(-c3nnn[nH]3)c1)c(C(=O)O)n2Cc1cc2c(cc1CC)OCO2 |
| InChIKey | SCOBRKBPUKEATJ-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 11 |
| Log P | 4.989 |
| Molecular weight (Da) | 581.2 |
| 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 |
CHEMBL4061110
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