| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | K3S4K8ACHE |
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H12F6N4 |
| Molecular Weight | 434.34 |
| AlogP | 6.47 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 50.7 |
| Molecular species | None |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Vanilloid receptor antagonist |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 1.01 | |
|
Enzyme
Transferase
|
- | - | - | - | 0.5971 | |
|
Enzyme
|
- | - | - | - | 0.5971 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -21.46-6.46 | |
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | - | - | - | 8-8 | |
|
Ion channel
Voltage-gated ion channel
Transient receptor potential channel
|
- | 0.8-1.1 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pain | 2 | D010146 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL3545227 |
| FDA SRS | K3S4K8ACHE |
| PubChem | 11247522 |
CONTENTS