CHEMBL2413101 [182616]
CHEMBL2413101
| SMILES | O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNc1ccc([N+](=O)[O-])c2nonc12 |
| InChIKey | NBSYYLNUNTVGPG-WCDBERHZSA-N |
Chemical Properties
| Hydrogen bond acceptors | 17 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 14 |
| Log P | 1.578 |
| Molecular weight (Da) | 739.2 |
| Stereochemistry info | full |
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 |
CHEMBL2413101
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