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Ligand

NameCHEMBL458001
Molecular formulaC28H26ClN5O2
IUPAC nameN-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]phenyl]-4-phenylbenzamide
Molecular weight499.999
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50412983
Inchi KeyIIGRUZXPSNFKHF-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H26ClN5O2/c29-26-25(33-15-13-30-14-16-33)18-31-34(28(26)36)19-20-5-4-8-24(17-20)32-27(35)23-11-9-22(10-12-23)21-6-2-1-3-7-21/h1-12,17-18,30H,13-16,19H2,(H,32,35)
PubChem CID44581972
ChEMBLCHEMBL458001
IUPHARN/A
BindingDB50412983
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1338725-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
1338735-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
1338695-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
1338635-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
1338685-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
1338645-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
133865Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
133871Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
133867D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
133870D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
133866Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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