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Ligand

NameCHEMBL380855
Molecular formulaC35H43ClFN5O2
IUPAC nameN-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide
Molecular weight620.21
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
SynonymsSCHEMBL14592938
BDBM50177563
N-((R)-3-(4-chlorophenyl)-1-(4-(2-(diethylamino)-1-(2-fluorophenyl)ethyl)piperazin-1-yl)-1-oxopropan-2-yl)-2-(isoindolin-1-yl)acetamide
Inchi KeyAITZMTQUXXOZQF-QYEGGPJFSA-N
Inchi IDInChI=1S/C35H43ClFN5O2/c1-3-40(4-2)24-33(29-11-7-8-12-30(29)37)41-17-19-42(20-18-41)35(44)32(21-25-13-15-27(36)16-14-25)39-34(43)22-31-28-10-6-5-9-26(28)23-38-31/h5-16,31-33,38H,3-4,17-24H2,1-2H3,(H,39,43)/t31?,32-,33?/m1/s1
PubChem CID10232787
ChEMBLCHEMBL380855
IUPHARN/A
BindingDB50177563
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6522Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
6521Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
6523Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
6520Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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