CHEMBL179889 [126188]
CHEMBL179889
| SMILES | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2(N)CCc3ccccc32)CC1 |
| InChIKey | QTUAHMLSKYOMMA-QUYPYAKJSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 9 |
| Log P | 3.919 |
| Molecular weight (Da) | 628.3 |
| 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 |
CHEMBL179889
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