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Ligand

NameMLS-0435427.0001
Molecular formulaC24H20ClN3O4S2
IUPAC name4-[[2-[1-(4-chloroanilino)-1-oxobutan-2-yl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
Molecular weight514.011
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.3
Synonyms4-{[2-[(1-{[(4-chlorophenyl)amino]carbonyl}propyl)thio]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
cid_4189667
AKOS002090067
MLS001028354
4-[[2-[1-[(4-chlorophenyl)carbamoyl]propylthio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
[ Show all ]
Inchi KeyCJNCFWYZCUQTRK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20ClN3O4S2/c1-2-19(21(29)26-17-9-7-16(25)8-10-17)34-24-27-18-11-12-33-20(18)22(30)28(24)13-14-3-5-15(6-4-14)23(31)32/h3-12,19H,2,13H2,1H3,(H,26,29)(H,31,32)
PubChem CID4189667
ChEMBLCHEMBL1730779
IUPHARN/A
BindingDB64818
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43518G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
468248Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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