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Ligand

NameCHEMBL1085624
Molecular formulaC35H32ClNOS
IUPAC name[4-[4-(1-benzothiophen-3-yl)naphthalen-1-yl]-2-chlorophenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
Molecular weight550.157
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP10.1
SynonymsBDBM50319813
(4-(4-(benzo[b]thiophen-3-yl)naphthalen-1-yl)-2-chlorophenyl)((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
Inchi KeyBCEXGBPLTOYCHO-JEHQLEFQSA-N
Inchi IDInChI=1S/C35H32ClNOS/c1-34(2)17-23-18-35(3,20-34)21-37(23)33(38)29-13-12-22(16-31(29)36)24-14-15-27(26-9-5-4-8-25(24)26)30-19-39-32-11-7-6-10-28(30)32/h4-16,19,23H,17-18,20-21H2,1-3H3/t23-,35-/m1/s1
PubChem CID46890185
ChEMBLCHEMBL1085624
IUPHARN/A
BindingDB50319813
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20110Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
20109Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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