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Ligand

NameCHEMBL1915865
Molecular formulaC29H29ClN2O5
IUPAC name1-[4-chloro-3-[[2,6-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]cyclopropane-1-carboxylic acid
Molecular weight521.01
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50357620
SCHEMBL730925
Inchi KeyGUWAOSSGBYSTNR-NRFANRHFSA-N
Inchi IDInChI=1S/C29H29ClN2O5/c1-17-12-20(36-16-21-15-32(3)24-6-4-5-7-25(24)37-21)13-18(2)26(17)27(33)31-23-14-19(8-9-22(23)30)29(10-11-29)28(34)35/h4-9,12-14,21H,10-11,15-16H2,1-3H3,(H,31,33)(H,34,35)/t21-/m0/s1
PubChem CID57394587
ChEMBLCHEMBL1915865
IUPHARN/A
BindingDB50357620
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
106001Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
106000Prostaglandin D2 receptorP70263PtgdrMus musculus (Mouse)357
106002Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359

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