| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | D42O649ALL |
Structure
| InChI Key | CGDZXLJGHVKVIE-DNVCBOLYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H27F5N6O3 |
| Molecular Weight | 566.53 |
| AlogP | 4.1 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 103.59 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 40.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family B G protein-coupled receptor
Peptide receptor (family B GPCR)
Calcitonin-like receptor
Calcitonin gene-related peptide receptor
|
- | 2-11 | 2-4 | 1-1 | - | |
|
Other membrane protein
|
- | - | - | 1 | - | |
|
Secreted protein
|
- | 2 | - | 1 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Migraine Disorders | 3 | D008881 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 781649-09-0 |
| ChEMBL | CHEMBL236593 |
| DrugBank | DB12228 |
| FDA SRS | D42O649ALL |
| Guide to Pharmacology | 703 |
| PDB | N7R |
| PubChem | 11319053 |
| SureChEMBL | SCHEMBL1198535 |
| ZINC | ZINC000028827350 |
CONTENTS