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Ligand

NameCHEMBL20644
Molecular formulaC31H26ClN5S
IUPAC name7-(2-chlorophenyl)-13-methyl-4-[3-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)prop-1-ynyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
Molecular weight536.094
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP7.1
Synonyms5-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-5,6,7,8,9,10-hexahydro-cyclohepta[b]indole
4-(2-Chlorophenyl)-9-methyl-2-[3-[(5,6,7,8,9,10-hexahydrocyclohept[b]indol)-5-yl]-1-propynyl]-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
BDBM50011604
Inchi KeyACOAOQXYMXNUDR-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H26ClN5S/c1-20-34-35-29-19-33-30(24-13-5-7-14-26(24)32)25-18-21(38-31(25)37(20)29)10-9-17-36-27-15-4-2-3-11-22(27)23-12-6-8-16-28(23)36/h5-8,12-14,16,18H,2-4,11,15,17,19H2,1H3
PubChem CID44273441
ChEMBLCHEMBL20644
IUPHARN/A
BindingDB50011604
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
1736Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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