CHEMBL379836 [277045]
CHEMBL379836
| SMILES | CCCCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(-n2ccnc2)n1 |
| InChIKey | JLKRUPGMWLSXDU-NRFANRHFSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 16 |
| Log P | 4.154 |
| Molecular weight (Da) | 444.3 |
| 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 |
CHEMBL379836
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