Molecule Details
InChIKeyDDOOFTLHJSMHLN-ZQHRPCGSSA-N
Canonical SMILESC[C@@H]1[C@H](c2ccccc2)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 pChEMBL10.17
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB15328
Drug NameUbrogepant
CAS Number1374248-77-7
Groups approved investigational
ATC Codes N02CD04
DescriptionUbrogepant is indicated for the acute treatment of migraine headaches with or without aura in adults.[L10926] It was approved by the FDA on December 23, 2019, and is the first oral calcitonin gene-related peptide (CGRP) receptor antagonist approved for the acute treatment of migraine.[L10959] Severa...

Categories: Analgesics Antimigraine Preparations BCRP/ABCG2 Substrates Calcitonin Gene-Related Peptide (CGRP) Antagonists Calcitonin Gene-Related Peptide Receptor Antagonists Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (weak) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (weak) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (weak) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates Nervous System OATP1B1/SLCO1B1 Inhibitors OATP1B1/SLCO1B1 Substrates OATP1B3 inhibitors OATP1B3 substrates OCT2 Inhibitors P-glycoprotein substrates UGT1A1 Inhibitors
Cross-references: BindingDB: 361594 CHEMBL2364638 ChemSpider: 28536135 Drugs Product Database (DPD): 23801 RxCUI: 2268216 Wikipedia: Ubrogepant ZINC: ZINC000095598454
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
O60894 RAMP1 Homo sapiens Human PF04901 10.2 Ki ChEMBL
Q16602 CALCRL Homo sapiens Human PF00002 PF02793 10.2 Ki ChEMBL;BindingDB
DrugBank Target Actions (16)
Target Gene Target Name Action Type
P10632 CYP2C8 Cytochrome P450 2C8 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P21397 MAOA Amine oxidase [flavin-containing] A inhibitor enzymes
P22309 UGT1A1 UDP-glucuronosyltransferase 1A1 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
Q16602 CALCRL Calcitonin gene-related peptide type 1 receptor antagonist targets
O15244 SLC22A2 Solute carrier family 22 member 2 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