CHEMBL429684 [332205]
CHEMBL429684
| SMILES | O=C(NNc1nc(OCCc2c[nH]c3cc(Br)ccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccco1 |
| InChIKey | SKEMKSPVMCBXKF-AGFSROSKSA-N |
Chemical Properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 9 |
| Log P | 1.653 |
| Molecular weight (Da) | 613.1 |
| 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 |
CHEMBL429684
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