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Ligand

NameCHEMBL2028957
Molecular formulaC37H54F7N5O7
IUPAC name(2S,5R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-propan-2-ylpiperazine-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular weight813.856
Hydrogen bond acceptor16
Hydrogen bond donor6
XlogPNone
SynonymsBDBM50027174
Inchi KeyBADSUIREPKQCPL-UZKJHTDFSA-N
Inchi IDInChI=1S/C33H52FN5O3.2C2HF3O2/c1-22(2)27-20-36-28(21-35-27)29(40)37-26(19-23-11-13-25(34)14-12-23)30(41)39-17-15-33(16-18-39,24-9-7-6-8-10-24)31(42)38-32(3,4)5;2*3-2(4,5)1(6)7/h11-14,22,24,26-28,35-36H,6-10,15-21H2,1-5H3,(H,37,40)(H,38,42);2*(H,6,7)/t26-,27+,28+;;/m1../s1
PubChem CID70685712
ChEMBLCHEMBL2028957
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18758Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
18757Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
18756Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325

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