Molecule Details
InChIKeyMOTJMGVDPWRKOC-QPVYNBJUSA-N
Compound NameAtrasentan
Canonical SMILESCCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL8.77
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB06199
Drug NameAtrasentan
CAS Number173937-91-2
Groups approved investigational
ATC Codes nan
DescriptionAtrasentan is a novel, selective endothelin A receptor antagonist (SERA).[L52855] In April 2025, atrasentan was granted accelerated approval by the FDA for the reduction of proteinuria in patients with primary IgA nephropathy, becoming the first endothelin A receptor antagonist to be approved for th...

Categories: Antineoplastic Agents Benzodioxoles Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Dioxoles Endothelin A Receptor Antagonists Endothelin Receptor Antagonists Heterocyclic Compounds, Fused-Ring OATP1B1/SLCO1B1 Inhibitors OATP1B1/SLCO1B1 Substrates OATP1B3 inhibitors OATP1B3 substrates P-glycoprotein inhibitors P-glycoprotein substrates Pyrrolidines
Cross-references: BindingDB: 50051007 ChEBI: 135810 CHEMBL9194 ChemSpider: 140321 PubChem:159594 RxCUI: 2710449 Wikipedia: Atrasentan ZINC: ZINC000003812144
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P25101 EDNRA Homo sapiens Human PF00001 10.5 IC50 ChEMBL;BindingDB
P24530 EDNRB Homo sapiens Human PF00001 7.1 IC50 ChEMBL;BindingDB
DrugBank Target Actions (17)
Target Gene Target Name Action Type
P02768 ALB Albumin binder carriers
P08684 CYP3A4 Cytochrome P450 3A Subfamily inducer enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inducer enzymes
P08684 CYP3A4 Cytochrome P450 3A Subfamily inhibitor enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A Subfamily substrate enzymes
P22309 UGT1A1 UDP-glucuronosyltransferases (UGTs) substrate enzymes
P24530 EDNRB Endothelin receptor type B antagonist targets
P25101 EDNRA Endothelin-1 receptor antagonist targets
P08183 ABCB1 ATP-dependent translocase ABCB1 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
Q9NPD5 SLCO1B3 Solute carrier organic anion transporter family member 1B3 substrate transporters
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 substrate transporters