| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 63V8AIE65T |
Structure
| InChI Key | VFUAJMPDXIRPKO-LQELWAHVSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H14BrN3O |
| Molecular Weight | 356.22 |
| AlogP | 3.63 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 65.78 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transcription factor
|
- | 1790-2500 | - | - | - |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1923234 |
| DrugBank | DB12679 |
| EPA CompTox | DTXSID50235007 |
| FDA SRS | 63V8AIE65T |
| Guide to Pharmacology | 7972 |
| PubChem | 11210478 |
| SureChEMBL | SCHEMBL1315826 |
| ZINC | ZINC000013983221 |
CONTENTS