| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | H4C81M8YYW |
Structure
| InChI Key | BATCTBJIJJEPHM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H20F3N5O2 |
| Molecular Weight | 455.44 |
| AlogP | 5.39 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 80.24 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 33.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Anandamide amidohydrolase inhibitor | ClinicalTrials PubMed PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | 14500 | - | - | - | |
|
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | 30000-30000 | - | - | - | |
|
Enzyme
Hydrolase
|
- | 2-7 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Stress Disorders, Post-Traumatic | 2 | D013313 | ClinicalTrials |
| Marijuana Abuse | 2 | D002189 | ClinicalTrials |
| Osteoarthritis, Knee | 2 | D020370 | ClinicalTrials |
| Tourette Syndrome | 1 | D005879 | ClinicalTrials |
| Chronic Pain | 1 | D059350 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1020315-31-4 |
| ChEMBL | CHEMBL1651534 |
| DrugBank | DB12012 |
| EPA CompTox | DTXSID00144539 |
| FDA SRS | H4C81M8YYW |
| Guide to Pharmacology | 6694 |
| PubChem | 24771824 |
| SureChEMBL | SCHEMBL1010408 |
| ZINC | ZINC000066111849 |
CONTENTS