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Ligand

NameMK-0489
Molecular formulaC34H44ClF2N3O2
IUPAC nameN-[2-[(1R)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propan-2-yl]acetamide
Molecular weight600.192
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.8
Synonymstrans-N-(2-((R)-1''-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)-6-chloro-5-methyl-2,3-dihydrospiro[indene-1,4''-piperidine]-3-yl)propan-2-yl)acetamide
BDBM50314764
SCHEMBL4230002
CHEMBL1093304
Inchi KeyKMNARKQYUZICHM-ZRRKCSAHSA-N
Inchi IDInChI=1S/C34H44ClF2N3O2/c1-20-14-24-27(16-29(20)35)34(17-28(24)33(6,7)38-21(2)41)10-12-39(13-11-34)31(42)26-19-40(32(3,4)5)18-25(26)23-9-8-22(36)15-30(23)37/h8-9,14-16,25-26,28H,10-13,17-19H2,1-7H3,(H,38,41)/t25-,26+,28+/m0/s1
PubChem CID11753695
ChEMBLCHEMBL1093304
IUPHARN/A
BindingDB50314764
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
172820Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
172823Melanocortin receptor 3P32244Mc3rRattus norvegicus (Rat)323
172824Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
172818Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
172822Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
172825Melanocortin receptor 4P70596Mc4rRattus norvegicus (Rat)332
172819Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325
172821Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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