Details of the Drug

General Information of Drug (ID: DMVU9X1)

Drug Name
Lisofylline
Synonyms
LISOFYLLINE; (R)-Lisofylline; 100324-81-0; CT-1501R; ProTec; Lisophylline; NSMXQKNUPPXBRG-SECBINFHSA-N; (R)-Lisophylline; 3,7-Dihydro-1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-1H-purine-2,6-dione; UNII-L1F2Q2X956; 1-[(5R)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione; L1F2Q2X956; ProTec (TN); AC1L9UOZ; Lisofylline (USAN/INN); CHEMBL1411; SCHEMBL39131; GTPL9225; DTXSID7058709; CTK8E6838; CT1501R; MolPort-005-943-169; ZINC1887263; LSF; 1836AH; AKOS025394050; SB18959; DB12406; NCGC00186630-01; FT-0670822
Indication
Disease Entry ICD 11 Status REF
Type-1 diabetes 5A10 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 280.32
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H20N4O3
IUPAC Name
1-[(5R)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione
Canonical SMILES
C[C@H](CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O
InChI
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
Cross-matching ID
PubChem CID
501254
ChEBI ID
CHEMBL143527
CAS Number
100324-81-0
UNII
L1F2Q2X956
DrugBank ID
DB12406
TTD ID
D03WRJ
INTEDE ID
DR0964
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 1A2 (CYP1A2)
Main DME 		DEJGDUW CP1A2_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00464555) Strategies to Improve Islet Survival. U.S. National Institutes of Health.
2 Physiologically based modeling of lisofylline pharmacokinetics following intravenous administration in mice. Eur J Drug Metab Pharmacokinet. 2016 Aug;41(4):403-12.