| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | T74V9O0Y2W |
Structure
| InChI Key | JYILLRHXRVTRSH-GFCCVEGCSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H16BrF3N4O |
| Molecular Weight | 429.24 |
| AlogP | 4.26 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 57.26 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 26.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Vanilloid receptor antagonist | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Transient receptor potential channel
|
- | 100 | - | - | 102 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Irritable Bowel Syndrome | 2 | D043183 | ClinicalTrials |
| Migraine Disorders | 2 | D008881 | ClinicalTrials |
| Rhinitis | 2 | D012220 | ClinicalTrials |
| Toothache | 2 | D014098 | ClinicalTrials |
| Dermatitis, Atopic | 1 | D003876 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 501951-42-4 |
| ChEMBL | CHEMBL207433 |
| DrugBank | DB11883 |
| EPA CompTox | DTXSID20198236 |
| FDA SRS | T74V9O0Y2W |
| Guide to Pharmacology | 4311 |
| PubChem | 9910486 |
| SureChEMBL | SCHEMBL1350298 |
| ZINC | ZINC000013985502 |
CONTENTS