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Ligand

NameCHEMBL1801094
Molecular formulaC35H46ClF2N3O2
IUPAC name2-[(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]-N,N,2-trimethylpropanamide
Molecular weight614.219
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.4
SynonymsBDBM50348583
Inchi KeyACNLYDWIFLWOSO-ZRRKCSAHSA-N
Inchi IDInChI=1S/C35H46ClF2N3O2/c1-21-15-24-27(17-29(21)36)35(18-28(24)34(5,6)32(43)39(7)8)11-13-40(14-12-35)31(42)26-20-41(33(2,3)4)19-25(26)23-10-9-22(37)16-30(23)38/h9-10,15-17,25-26,28H,11-14,18-20H2,1-8H3/t25-,26+,28+/m0/s1
PubChem CID56659465
ChEMBLCHEMBL1801094
IUPHARN/A
BindingDB50348583
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1726Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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