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Ligand

NameCHEMBL147444
Molecular formulaC32H41N3O4
IUPAC name(E)-7-[4-[[3-(4-cyclohexylbutylamino)-3-oxoprop-1-en-2-yl]carbamoyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid
Molecular weight531.697
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP7.3
Synonyms(E)-7-[4-[[[1-[[(4-cyclohexylbutyl)amino]carbonyl]-eth-1-enyl]amino]carbonyl]phenyl]-7-(3-pyridyl)-hept-6-enoic acid
AQQCPDIIPNDMEK-WKULSOCRSA-N
(E)-7-{4-[1-(4-Cyclohexyl-butylcarbamoyl)-vinylcarbamoyl]-phenyl}-7-pyridin-3-yl-hept-6-enoic acid
BDBM50072783
SCHEMBL8073837
Inchi KeyAQQCPDIIPNDMEK-WKULSOCRSA-N
Inchi IDInChI=1S/C32H41N3O4/c1-24(31(38)34-22-9-8-13-25-11-4-2-5-12-25)35-32(39)27-19-17-26(18-20-27)29(28-14-10-21-33-23-28)15-6-3-7-16-30(36)37/h10,14-15,17-21,23,25H,1-9,11-13,16,22H2,(H,34,38)(H,35,39)(H,36,37)/b29-15+
PubChem CID44366527
ChEMBLCHEMBL147444
IUPHARN/A
BindingDB50072783
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12013Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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