CHEMBL410567 [315638]
CHEMBL410567
| SMILES | COc1ccc(C[C@@H](NC(=O)CCCc2ccc(N=[N+]=[N-])cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(N)=O)cc1 |
| InChIKey | KSOKNROZEVMUFQ-DZDVHOMXSA-N |
Chemical Properties
| Hydrogen bond acceptors | 16 |
| Hydrogen bond donors | 15 |
| Rotatable bonds | 40 |
| Log P | -0.884 |
| Molecular weight (Da) | 1468.6 |
| 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 |
CHEMBL410567
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