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

General Information of Drug (ID: DR1213)
Drug Name
KW-4354
Synonyms
Celtect; J31IL9Z2EE; KW-4354; McN-JR 35443; Oxatimide; Oxatomida; Oxatomida [INN-Spanish]; Oxatomidum [INN-Latin]; Oxetal; R 35443; R-35443; Tinset; oxatomide; 1-(3-(4-(Diphenylmethyl)-1-piperazinyl)propyl)-1,3-dihydro-2H-benzimidazol-2-one; 1-(3-(4-Benzhydrylpiperazin-1-yl)propyl)-1H-benzo[d]imidazol-2(3H)-one; 1-[3-[4-(Diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-2H-benzimidazol-2-one; 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one; 60607-34-3; BRN 4724760; C27H30N4O; EINECS 262-320-9; UNII-J31IL9Z2EE; Oxatomide
Indication Muscular dystrophy [ICD11: 8C70] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 426.6 Topological Polar Surface Area 38.8
Heavy Atom Count 32 Rotatable Bond Count 7
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
4615
PubChem SID
454767 ; 855791 ; 3356790 ; 7434788 ; 7848836 ; 8076407 ; 8152832 ; 10589929 ; 11111579 ; 11171328 ; 12013337 ; 14782886 ; 17405482 ; 17447408 ; 24278615 ; 29223704 ; 47515476 ; 48259415 ; 49883312 ; 50100302 ; 50106789 ; 50106790 ; 53778030 ; 57322351 ; 78738974 ; 81093279 ; 85174443 ; 85231171 ; 89007468 ; 92304200 ; 92308943 ; 96099872 ; 103175665 ; 103928643 ; 104306919 ; 105054418 ; 124609729 ; 124799800 ; 124881005 ; 124881006 ; 125354189 ; 126685859 ; 127327792 ; 127327793 ; 127486604 ; 131320626 ; 134338621 ; 135260589 ; 137156392 ; 137260958
ChEBI ID
CHEBI:31943
CAS Number
60607-34-3
TTD Drug ID
D0AJ5L
Formula
C27H30N4O
Canonical SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)
InChIKey
BAINIUMDFURPJM-UHFFFAOYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 ClinicalTrials.gov (NCT00033813) KUL0401: An Open-label Pilot Study of Oxatomide in Steroid-Naive Duchenne Muscular Dystrophy.
2 Identification of human P450 isoforms involved in the metabolism of the antiallergic drug, oxatomide, and its kinetic parameters and inhibition constants. Biol Pharm Bull. 2005 Feb;28(2):328-34.

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