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Ligand

NameCHEMBL402017
Molecular formulaC34H48ClN5O3
IUPAC nameN-[(1S)-1-[2-[4-[(3S,4R)-4-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolidine-3-carbonyl]piperazin-1-yl]-5-methylphenyl]-2-methylpropyl]-2-(methylamino)acetamide
Molecular weight610.24
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50373499
Inchi KeyAFYRPFJWRJINKI-VATRQPNGSA-N
Inchi IDInChI=1S/C34H48ClN5O3/c1-23(2)33(37-32(41)20-36-4)28-19-24(3)5-10-31(28)38-13-15-39(16-14-38)34(42)30-22-40(27-11-17-43-18-12-27)21-29(30)25-6-8-26(35)9-7-25/h5-10,19,23,27,29-30,33,36H,11-18,20-22H2,1-4H3,(H,37,41)/t29-,30+,33-/m0/s1
PubChem CID44456137
ChEMBLCHEMBL402017
IUPHARN/A
BindingDB50373499
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
4622Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332

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