CHEMBL3729817 [273140]
CHEMBL3729817
| SMILES | CC(=O)c1csc(CNC(=O)[C@H]2[C@H](C(=O)NCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)n1 |
| InChIKey | VQWBQKIUINKPEU-HRQSHJORSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Log P | 2.392 |
| Molecular weight (Da) | 456.2 |
| Stereochemistry info | partial |
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 |
CHEMBL3729817
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