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]
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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
CAS Number: 685506-42-7
TTD ID: D02NHW

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.