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Ligand

NameCHEMBL164123
Molecular formulaC39H40ClN7O3S
IUPAC nameethyl 5-[(E)-[[4-[[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]oxypentanoate
Molecular weight722.305
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP6.8
SynonymsBDBM50110451
5-[(4-[1,4-dimethyl-6-(2-chloro-phenyl)-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-yl-methyl]-phenyl)-pyridin-3-yl-methyleneaminooxy]-pentanoic acid ethyl ester
5-[[(Z)-alpha-(3-Pyridyl)-4-[1,4-dimethyl-6-(2-chlorophenyl)-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-9-ylmethyl]benzylidene]aminooxy]valeric acid ethyl ester
Inchi KeyHQHPTNLIXCXDMV-AESNPLDJSA-N
Inchi IDInChI=1S/C39H40ClN7O3S/c1-4-49-34(48)13-7-8-21-50-45-36(29-10-9-19-41-22-29)28-16-14-27(15-17-28)23-46-20-18-31-33(24-46)51-39-35(31)37(30-11-5-6-12-32(30)40)42-25(2)38-44-43-26(3)47(38)39/h5-6,9-12,14-17,19,22,25H,4,7-8,13,18,20-21,23-24H2,1-3H3/b45-36+
PubChem CID44377912
ChEMBLCHEMBL164123
IUPHARN/A
BindingDBN/A
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
121401Platelet-activating factor receptorQ62035PtafrMus musculus (Mouse)341

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