Details of the Drug

General Information of Drug (ID: DMCV5ND)

Drug Name
GSK-264220A
Synonyms
GSK 264220A; 685506-42-7; CHEMBL513349; 3-[2-methyl-5-(piperidine-1-sulfonyl)furan-3-yl]-1-phenylurea; GSK-264220A; AC1MDFFU; AC1Q2G0T; MLS000850100; GTPL6697; SCHEMBL15798229; CTK8F0072; DTXSID30384608; MolPort-001-806-822; HMS2799K10; HMS3648O15; ZINC4324633; 1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea; BDBM50254290; AKOS024457788; MCULE-4804513903; CCG-242835; NCGC00344077-02; SMR000456118; RT-013120; SR-01000774442; SR-01000774442-2; N-[2-methyl-5-(piperidinosulfonyl)-3-furyl]-N'-phenylurea
Indication
Disease Entry ICD 11 Status REF
Coagulation defect 3B10.0 Clinical trial [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 363.4
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H21N3O4S
IUPAC Name
1-(2-methyl-5-piperidin-1-ylsulfonylfuran-3-yl)-3-phenylurea
Canonical SMILES
CC1=C(C=C(O1)S(=O)(=O)N2CCCCC2)NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C17H21N3O4S/c1-13-15(19-17(21)18-14-8-4-2-5-9-14)12-16(24-13)25(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H2,18,19,21)
InChIKey
LVOVQRPAMXCXTM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2810413
ChEBI ID
CHEMBL513349
CAS Number
685506-42-7
TTD ID
D02NHW
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Endothelial lipase (LIPG) TTHSZXO LIPE_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6697).
2 Discovery of potent, selective sulfonylfuran urea endothelial lipase inhibitors. Bioorg Med Chem Lett. 2009 Jan 1;19(1):27-30.