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Ligand

NameCHEMBL449131
Molecular formulaC36H38FN5O4
IUPAC nameN-[(2R)-3-(4-fluorophenyl)-1-[(2S)-4-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-1-oxopropan-2-yl]pyridine-4-carboxamide
Molecular weight623.729
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50253738
N-((R)-3-(4-Fluorophenyl)-1-((S)-4-((S)-1-(methylamino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)-3-oxo-2-propylpiperazin-1-yl)-1-oxopropan-2-yl)isonicotinamide
Inchi KeyBKDGLTMSFYSIAO-RTOKGZNSSA-N
Inchi IDInChI=1S/C36H38FN5O4/c1-3-6-31-36(46)42(32(34(44)38-2)23-25-9-12-26-7-4-5-8-28(26)21-25)20-19-41(31)35(45)30(22-24-10-13-29(37)14-11-24)40-33(43)27-15-17-39-18-16-27/h4-5,7-18,21,30-32H,3,6,19-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
PubChem CID25132866
ChEMBLCHEMBL449131
IUPHARN/A
BindingDB50253738
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25683Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
25684Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
25682Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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