Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5436)
Drug Name
Telotristat ethyl
Prodrug Info Telotristat ethyl is the prodrug of Telotristat
Synonyms
Telotristat; Telotristat etiprate; LP-778902; LX-1032; LX-1606; Serotonin modulator (oral, GI disorder/hypertension/carcinoid syndrome), Lexicon; Tryptophan hydroxylase inhibitor (oral, GI disorder/hypertension/carcinoid syndrome), Lexicon
Indication Carcinoid syndrome [ICD11: 5B10] Approved [1]
Carcinoid syndrome diarrhea [ICD11: ICD11: DA90] Approved [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 575 Topological Polar Surface Area 131
Heavy Atom Count 40 Rotatable Bond Count 10
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
25181577
CAS Number
1033805-22-9
TTD Drug ID
D0RE6T
Formula
C27H26ClF3N6O3
Canonical SMILES
CCOC(=O)[C@H](CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)O[C@H](C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)N
InChI
InChI=1S/C27H26ClF3N6O3/c1-3-39-25(38)20(32)12-16-4-6-17(7-5-16)21-14-23(35-26(33)34-21)40-24(27(29,30)31)19-9-8-18(28)13-22(19)37-11-10-15(2)36-37/h4-11,13-14,20,24H,3,12,32H2,1-2H3,(H2,33,34,35)/t20-,24+/m0/s1
InChIKey
MDSQOJYHHZBZKA-GBXCKJPGSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Telotristat DM016042
25025298
Oxidation - O-deethylation 1 [3]
M1 telotristat DM017449 N. A. Reduction - Decarboxylation 2 [3]
M2 telotristat DM017450 N. A. Unclear - Unclear 3 [3]
LP-951757 DM017451 N. A. Oxidation - Oxidation 4 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008698 Telotristat ethyl Telotristat Oxidation - O-deethylation CES1 ... [3]
MR008699 Telotristat M1 telotristat Reduction - Decarboxylation Unclear [3]
MR008700 M1 telotristat M2 telotristat Unclear - Unclear Unclear [3]
MR008701 M2 telotristat LP-951757 Oxidation - Oxidation Unclear [3]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2018
3 DrugBank(Pharmacology-Metabolism):Telotristat ethyl

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