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Ligand

NameCHEMBL458220
Molecular formulaC29H28ClN5O2
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-phenylbenzamide
Molecular weight514.026
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsSCHEMBL1162417
BDBM50412985
Inchi KeyOZAJLQLEAWUZSC-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H28ClN5O2/c1-20-24(19-35-29(37)27(30)26(18-32-35)34-16-14-31-15-17-34)8-5-9-25(20)33-28(36)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-13,18,31H,14-17,19H2,1H3,(H,33,36)
PubChem CID44581974
ChEMBLCHEMBL458220
IUPHARN/A
BindingDB50412985
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2537375-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
2537395-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2537385-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
2537355-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
2537335-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
2537345-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
253741Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
253740Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
253732D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
253736D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
253731Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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