CHEMBL2172147 [163751]
CHEMBL2172147
| SMILES | O=C(O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(-c2ccccc2)n1)C(=O)N1CCN(C(=O)Oc2ccccc2)CC1 |
| InChIKey | DKNNFADSGJARAT-JDXGNMNLSA-N |
Chemical Properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 13 |
| Log P | 2.217 |
| Molecular weight (Da) | 729.3 |
| 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 |
CHEMBL2172147
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