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

General Information of Drug (ID: DR1877)
Drug Name
LCQ908-NXA
Synonyms
LCQ 908; LCQ 908NXA; LCQ-908; LCQ908; LCQ908-NXA; Pradigastat; Pradigastat (USAN); Pradigastat [USAN:INN]; SB16971; SCHEMBL1289309; SCHEMBL180536; ZINC253387875; 2-[4-[4-[5-[[6-(trifluoromethyl)pyridin-3-yl]amino]pyridin-2-yl]phenyl]cyclohexyl]acetic acid; 2-{4-[4-(5-{[6-(trifluoromethyl)pyridin-3-yl]amino}pyridin-2-yl)phenyl]cyclohexyl}acetic acid; 2U23G6VNUZ; 956136-95-1; BCP21089; CHEMBL2364624; CS-1222; DB12866; GTPL7830; GXALXAKNHIROPE-UHFFFAOYSA-N; HY-16278; NCGC00378933-01; SCHEMBL16104874; SCHEMBL18286769; UNII-2U23G6VNUZ
Indication Hypertriglyceridaemia [ICD11: 5C80] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 455.5 Topological Polar Surface Area 75.1
Heavy Atom Count 33 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
53387035
CAS Number
956136-95-1
TTD Drug ID
D0F1CE
Formula
C25H24F3N3O2
Canonical SMILES
C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=NC=C(C=C3)NC4=CN=C(C=C4)C(F)(F)F
InChI
1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)/t16-,17-
InChIKey
GXALXAKNHIROPE-UHFFFAOYSA-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
LCQ908-NXA Metabolite M20 DM003278 N. A. Unclear 1 [2]
M18.4 DM003277 N. A. Conjugation - Glucuronidation 1 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003712 LCQ908-NXA M18.4 Conjugation - Glucuronidation UGT1A1 ... [2], [3]
MR003713 LCQ908-NXA LCQ908-NXA Metabolite M20 Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 1A3 (UGT1A3) DME0041 Homo sapiens
UD13_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
References
1 ClinicalTrials.gov (NCT01514461) A Randomized, Double-blind, Placebo Controlled Study to Assess Efficacy, Safety and Tolerability of LCQ908 in Subjects With Familial Chylomicronemia Syndrome.
2 Pradigastat disposition in humans: in vivo and in vitro investigations. Xenobiotica. 2017 Dec;47(12):1077-1089.
3 #N/A

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