CHEMBL171963 [122389]
CHEMBL171963
| SMILES | O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(N2CCC(NC[C@H](O)COc3ccccc3)CC2)cc1 |
| InChIKey | KUDKJOYIJGDSMU-BFPHOCLHSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Log P | 4.141 |
| Molecular weight (Da) | 520.3 |
| Stereochemistry info | full |
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 |
CHEMBL171963
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