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Ligand

NameCHEMBL458002
Molecular formulaC29H28ClN5O2
IUPAC nameN-[5-[(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
SynonymsBDBM50412984
Inchi KeyADETWEPXXIGKFW-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H28ClN5O2/c1-20-7-8-21(19-35-29(37)27(30)26(18-32-35)34-15-13-31-14-16-34)17-25(20)33-28(36)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-12,17-18,31H,13-16,19H2,1H3,(H,33,36)
PubChem CID44581973
ChEMBLCHEMBL458002
IUPHARN/A
BindingDB50412984
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
21885-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
21815-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
21905-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
21845-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
21875-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
21835-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
2185Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
2182Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
2186D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
2191D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
2189Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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