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Ligand

NameCHEMBL261977
Molecular formulaC22H22N4S
IUPAC name8-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Molecular weight374.506
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.3
SynonymsBDBM50407750
Inchi KeyDXTRNUSQQPMWSC-XBXARRHUSA-N
Inchi IDInChI=1S/C22H22N4S/c1-2-6-18(7-3-1)8-4-11-24-13-15-25(16-14-24)21-20-9-5-12-26(20)22-19(23-21)10-17-27-22/h1-10,12,17H,11,13-16H2/b8-4+
PubChem CID10833258
ChEMBLCHEMBL261977
IUPHARN/A
BindingDB50407750
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
716335-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
716345-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
716325-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
716305-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
716315-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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