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

General Information of Drug (ID: DR3257)
Drug Name
SMT-C1100
Synonyms
BMN-195; Utrophin modulators (Duchenne muscular dystrophy); VOXC-1100; Utrophin modulators (Duchennemuscular dystrophy), VASTox; Utorphin upregulators (Duchenne muscular dystrophy), VASTox/University of Oxford; Utrophin modulators (Duchenne muscular dystrophy), Summit/BioMarin; Utropine inducer (Duchenne muscular dystrophy), Summit/BioMarin
Indication Muscular dystrophy [ICD11: 8C70] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 337.4 Topological Polar Surface Area 68.6
Heavy Atom Count 24 Rotatable Bond Count 3
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
25109292
CAS Number
945531-77-1
TTD Drug ID
D0Y7YD
Formula
C19H15NO3S
Canonical SMILES
CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
InChIKey
KSGCNXAZROJSNW-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
DHD1 DM016782
155554879
Unclear - Unclear 1 [2]
DHD3 DM016780
155516054
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008502 SMT-C1100 DHD1 Unclear - Unclear CYP1A1 ... [2]
MR008503 SMT-C1100 DHD3 Unclear - Unclear CYP1A1 ... [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 (CYP) DMEN060 . Not Available Not Available [2]
Cytochrome P450 1A1 (CYP1A1) DME0006 Homo sapiens
CP1A1_HUMAN
1.14.14.1
[2]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Isolation, Structural Identification, Synthesis, and Pharmacological Profiling of 1,2-trans-Dihydro-1,2-diol Metabolites of the Utrophin Modulator Ezutromid

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