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Ligand

NameCHEMBL3794185
Molecular formulaC21H23ClO5S
IUPAC name4-[(2R,4aR,5S,6R,7aS)-5-[(4-chloro-3-methylphenoxy)methyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]thiophene-2-carboxylic acid
Molecular weight422.92
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50156528
SCHEMBL18409912
Inchi KeyBOUVPWYXHRMMHT-YRGVVPAESA-N
Inchi IDInChI=1S/C21H23ClO5S/c1-11-6-13(2-4-16(11)22)26-9-15-14-3-5-18(27-19(14)8-17(15)23)12-7-20(21(24)25)28-10-12/h2,4,6-7,10,14-15,17-19,23H,3,5,8-9H2,1H3,(H,24,25)/t14-,15-,17-,18-,19+/m1/s1
PubChem CID126495427
ChEMBLCHEMBL3794185
IUPHARN/A
BindingDB50156528
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522433Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
522431Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
522430Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
522432Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
522434Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
522429Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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