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

General Information of Drug (ID: DR0964)
Drug Name
CT-1501R
Synonyms
L1F2Q2X956; LISOFYLLINE; Lisofylline (USAN/INN); Lisophylline; ProTec; ProTec (TN); SB18959; ZINC1887263; lisofilina; lisofyllinum; (-)-lisofylline; (R)-LSF; (R)-Lisofylline; (R)-Lisophylline; 1-[(5R)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione; 100324-81-0; 1836AH; 3,7-Dihydro-1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-1H-purine-2,6-dione; AC1L9UOZ; AKOS025394050; CHEBI:143527; CHEMBL1411; CT 1501R; CT-1501R; CT1501R; CTK8E6838; DB12406; DTXSID7058709; GTPL9225; LSF; NCGC00186630-01; NSMXQKNUPPXBRG-SECBINFHSA-N; SCHEMBL39131; UNII-L1F2Q2X956; A-802710
Indication Diabetes mellitus [ICD11: 5A10] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 280.32 Topological Polar Surface Area 78.7
Heavy Atom Count 20 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
501254
PubChem SID
800897 ; 10315984 ; 12014864 ; 14750891 ; 14897550 ; 38687951 ; 47206567 ; 57405840 ; 69520027 ; 80273756 ; 103490818 ; 109719255 ; 124897817 ; 128748421 ; 137249455 ; 142219154 ; 163121750 ; 164228262 ; 164761609 ; 198942324 ; 198943107 ; 226424558 ; 250136926 ; 252468008
ChEBI ID
CHEBI:143527
CAS Number
100324-81-0
TTD Drug ID
D03WRJ
Formula
C13H20N4O3
Canonical SMILES
CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O
InChI
1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1
InChIKey
NSMXQKNUPPXBRG-SECBINFHSA-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
Lisofylline 4,5-diol DM006839
154700141
Unclear 1 [2]
Pentoxifylline DM006840
4740
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007425 CT-1501R Lisofylline 4,5-diol Unclear CYP3A4 ... [2]
MR007426 CT-1501R Pentoxifylline Unclear CYP1A2 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 ClinicalTrials.gov (NCT00464555) Strategies to Improve Islet Survival.
2 Physiologically based modeling of lisofylline pharmacokinetics following intravenous administration in mice. Eur J Drug Metab Pharmacokinet. 2016 Aug;41(4):403-12.

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