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

General Information of Drug (ID: DR3344)
Drug Name
MT-1303
Synonyms .
Indication Crohn disease [ICD11: DD70] Phase 2 [1]
Multiple sclerosis [ICD11: ICD11: 8A40] Phase 2 [2]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 413.9 Topological Polar Surface Area 75.7
Heavy Atom Count 27 Rotatable Bond Count 12
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
67418070
CAS Number
942398-84-7
TTD Drug ID
D00ISN
Formula
C19H31ClF3NO3
Canonical SMILES
CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C(F)(F)F.Cl
InChI
InChI=1S/C19H30F3NO3.ClH/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25;/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3;1H
InChIKey
GEDVJGOVRLHFQG-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
HP6 DM019652 N. A. Unclear - Unclear 1 [3]
HP8 DM016299
70963743
Unclear - Unclear 1 [3]
HP9 DM019653 N. A. Unclear - Unclear 1 [3]
HU10 DM019649 N. A. Unclear - Unclear 1 [3]
MT-1303 Glucuronide(HU11) DM019654 N. A. Unclear - Unclear 1 [3]
MT-1303-P DM019655 N. A. Unclear - Unclear 1 [3]
HU9,HF2 DM019650 N. A. Unclear - Unclear 2 [3]
HU4,HF1 DM019651 N. A. Unclear - Unclear 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012335 MT-1303 HU10 Unclear - Unclear CYP4F12 ... [3]
MR012338 MT-1303 HP6 Unclear - Unclear Unclear [3]
MR012339 MT-1303 HP9 Unclear - Unclear Unclear [3]
MR012340 MT-1303 HP8 Unclear - Unclear Unclear [3]
MR012341 MT-1303 MT-1303 Glucuronide(HU11) Unclear - Unclear UGT [3]
MR012342 MT-1303 MT-1303-P Unclear - Unclear Unclear [3]
MR012336 HU10 HU9,HF2 Unclear - Unclear Unclear [3]
MR012337 HU9,HF2 HU4,HF1 Unclear - Unclear Unclear [3]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Cytochrome P450 4F12 (CYP4F12) DME0135 Homo sapiens
CP4FC_HUMAN
1.14.14.1
[3]
Cytochrome P450 4F2 (CYP4F2) DME0025 Homo sapiens
CP4F2_HUMAN
1.14.13.30
[3]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 ClinicalTrials.gov (NCT01890655) Extension Study of MT-1303. U.S. National Institutes of Health.
3 Absorption, disposition and metabolic pathway of amiselimod (MT-1303) in healthy volunteers in a mass balance study

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