CHEMBL385582 [278888]
CHEMBL385582
| SMILES | CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC)nc(-n4cc(Cc5ccccc5)nn4)nc32)[C@H](O)[C@@H]1O |
| InChIKey | OENSVUOFBRHKIM-GRXQJBFDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 7 |
| Log P | -0.205 |
| Molecular weight (Da) | 479.2 |
| 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 |
CHEMBL385582
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