CHEMBL120607 [38598]
CHEMBL120607
| SMILES | NCCCC[C@@H](NC(=O)CC1SC(c2ccccc2)N([C@@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)C1=O)C(N)=O |
| InChIKey | KRUHAHDGPMQZAF-TYJZTFFYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 14 |
| Log P | 2.882 |
| Molecular weight (Da) | 587.3 |
| 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 |
CHEMBL120607
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