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Ligand

NameCHEMBL94245
Molecular formulaC34H51N2O7P
IUPAC name[4-[(2S)-2-[[(Z)-octadec-9-enoyl]amino]-3-phosphonooxypropyl]phenyl] 4-aminobenzoate
Molecular weight630.763
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP8.0
Synonyms4-Amino-benzoic acid 4-[(S)-2-((Z)-octadec-9-enoylamino)-3-phosphonooxy-propyl]-phenyl ester
BDBM50146245
SCHEMBL13109855
Inchi KeyGQBOJFXZYOHVSW-KKUMVYOXSA-N
Inchi IDInChI=1S/C34H51N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(37)36-31(27-42-44(39,40)41)26-28-18-24-32(25-19-28)43-34(38)29-20-22-30(35)23-21-29/h9-10,18-25,31H,2-8,11-17,26-27,35H2,1H3,(H,36,37)(H2,39,40,41)/b10-9-/t31-/m0/s1
PubChem CID44325416
ChEMBLCHEMBL94245
IUPHARN/A
BindingDB50146245
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
102484Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
102485Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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