Molecule Details
| InChIKey | MDSQOJYHHZBZKA-GBXCKJPGSA-N |
|---|---|
| Canonical SMILES | CCOC(=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 pChEMBL | 6.12 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12095 |
|---|---|
| Drug Name | Telotristat ethyl |
| CAS Number | 1033805-22-9 |
| Groups | approved investigational |
| ATC Codes | nan |
| Description | Telotristat 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)
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 |