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Ligand

NameCHEMBL164665
Molecular formulaC37H36ClN7O3S
IUPAC name5-[(E)-[[3-[[9-(2-chlorophenyl)-3,7-dimethyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaen-14-yl]methyl]phenyl]-pyridin-3-ylmethylidene]amino]oxypentanoic acid
Molecular weight694.251
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.8
Synonyms5-{[1-{3-[6-(2-chlorophenyl)-1,4-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4'',3'':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-ylmethyl]phenyl}-1-(3-pyridyl)-(E)-methylideneamino]-oxy}pentanoic acid
BDBM50110446
Inchi KeyFPQRVGYUJCVJEQ-JGMSEJPPSA-N
Inchi IDInChI=1S/C37H36ClN7O3S/c1-23-36-42-41-24(2)45(36)37-33(35(40-23)28-12-3-4-13-30(28)38)29-15-17-44(22-31(29)49-37)21-25-9-7-10-26(19-25)34(27-11-8-16-39-20-27)43-48-18-6-5-14-32(46)47/h3-4,7-13,16,19-20,23H,5-6,14-15,17-18,21-22H2,1-2H3,(H,46,47)/b43-34+
PubChem CID44377819
ChEMBLCHEMBL164665
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
84260Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341

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