Molecule Details
| InChIKey | QIVUCLWGARAQIO-OLIXTKCUSA-N |
|---|---|
| Canonical SMILES | C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 10.82 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16098 |
|---|---|
| Drug Name | Atogepant |
| CAS Number | 1374248-81-3 |
| Groups | approved investigational |
| ATC Codes | N02CD07 |
| Description | Atogepant is an oral antagonist of calcitonin gene-related peptide (CGRP) receptors indicated for the prevention of episodic migraine headaches. It was developed by AbbVie and received FDA approval under the brand name Qulipta in September 2021.[L38814] While its approval was predated by two other m... |
Categories: Analgesics Antimigraine Preparations BCRP/ABCG2 Substrates Calcitonin Gene-Related Peptide (CGRP) Antagonists Calcitonin Gene-Related Peptide Receptor Antagonists Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates MATE 1 Inhibitors MATE inhibitors Nervous System OATP1B1/SLCO1B1 Inhibitors OATP1B1/SLCO1B1 Substrates OATP1B3 inhibitors OATP1B3 substrates OCT1 inhibitors P-glycoprotein substrates
Cross-references: BindingDB: 362044 ChEBI: 196955 CHEMBL3991065 ChemSpider: 59718640 Drugs Product Database (DPD): 23812 RxCUI: 2571813 Wikipedia: Atogepant
Target Activities (2)
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| Q16602 | CALCRL | Calcitonin gene-related peptide type 1 receptor | antagonist | targets |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | inhibitor | transporters |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | inhibitor | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | inhibitor | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | substrate | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | substrate | transporters |