Molecule Details
InChIKeyMDSQOJYHHZBZKA-GBXCKJPGSA-N
Canonical SMILESCCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL6.12
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB12095
Drug NameTelotristat ethyl
CAS Number1033805-22-9
Groups approved investigational
ATC Codes nan
DescriptionTelotristat ethyl is a prodrug of telotristat that was approved by the FDA in March 2017 as Xermelo.[L43342] It was previously referred to as telotristat etiprate, the hippurate salt form; however, the FDA recommends the use of the name of the neutral form rather than that of the salt.[A252937, A252...

Categories: Antidiarrheals Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 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 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors P-glycoprotein inhibitors P-glycoprotein substrates Tryptophan Hydroxylase Inhibitor UGT2B7 inducers
Cross-references: BindingDB: 445704 CHEMBL2105695 ChemSpider: 28189674 Drugs Product Database (DPD): 23002 PubChem:25025298 PubChem:347828399 RxCUI: 1872441 Wikipedia: Telotristat_ethyl ZINC: ZINC000043205655
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
Q8IWU9 TPH2 Homo sapiens Human PF00351 6.1 IC50 ChEMBL;BindingDB
P17752 TPH1 Homo sapiens Human PF00351 6.1 IC50 ChEMBL;BindingDB
DrugBank Target Actions (16)
Target Gene Target Name Action Type
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 binder carriers
P06133 P06133 UDP-glucuronosyltransferase 2B4 inducer enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inducer enzymes
P16662 UGT2B7 UDP-glucuronosyltransferase 2B7 inducer enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inducer enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
O00748 CES2 Cocaine esterase substrate enzymes
P23141 CES1 Liver carboxylesterase 1 substrate enzymes
P17752 TPH1 Tryptophan 5-hydroxylase 1 antagonist targets
Q8IWU9 TPH2 Tryptophan 5-hydroxylase 2 antagonist targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters