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Ligand

NameCHEMBL198949
Molecular formulaC23H25ClFN3O2
IUPAC nameN-[5-chloro-2-[(E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]phenyl]acetamide
Molecular weight429.92
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
Synonyms685534-25-2
(R)-N-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
ZINC13985934
BDBM50174702
N-[5-CHLORO-2-[(1E)-3-[(2R)-4-[(4-FLUOROPHENYL)METHYL]-2-METHYL-1-PIPERAZINYL]-3-OXO-1-PROPEN-1-YL]PHENYL]-ACETAMIDE
[ Show all ]
Inchi KeyDUFKTZBQJIHIAQ-VGZDNEPHSA-N
Inchi IDInChI=1S/C23H25ClFN3O2/c1-16-14-27(15-18-3-8-21(25)9-4-18)11-12-28(16)23(30)10-6-19-5-7-20(24)13-22(19)26-17(2)29/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,26,29)/b10-6+/t16-/m1/s1
PubChem CID11743399
ChEMBLCHEMBL198949
IUPHARN/A
BindingDB50174702
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: 30
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
689765-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
689785-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
689885-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
689835-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
689825-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
689695-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
689755-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
68980Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
68972Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
68974Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
68971Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
68997Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
68973C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
68992C-C chemokine receptor type 1P51675Ccr1Mus musculus (Mouse)355
68979C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
68984C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355
68970C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354
68986C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
68985D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
68995D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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