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Ligand

NameSCHEMBL18357227
Molecular formulaC28H28ClNO4S
IUPAC name4-[3-[(2R)-2-[(E)-3-[5-(4-chloro-2-methylphenyl)thiophen-2-yl]-3-hydroxyprop-1-enyl]-5-oxopyrrolidin-1-yl]propyl]benzoic acid
Molecular weight510.045
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM202460
US9540357, example 33
US9540357, example 32
Inchi KeyCHEGULSFMGKALD-RRPJXJBHSA-N
Inchi IDInChI=1S/C28H28ClNO4S/c1-18-17-21(29)8-11-23(18)25-13-14-26(35-25)24(31)12-9-22-10-15-27(32)30(22)16-2-3-19-4-6-20(7-5-19)28(33)34/h4-9,11-14,17,22,24,31H,2-3,10,15-16H2,1H3,(H,33,34)/b12-9+/t22-,24?/m0/s1
PubChem CID124170688
ChEMBLN/A
IUPHARN/A
BindingDB202460
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
558545Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
558546Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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