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Ligand

NameCHEMBL448337
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-2-carboxamide
Molecular weight623.729
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50253740
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)picolinamide
Inchi KeyBUTABXHVJVEFTF-RTOKGZNSSA-N
Inchi IDInChI=1S/C36H38FN5O4/c1-3-8-31-36(46)42(32(34(44)38-2)23-25-12-15-26-9-4-5-10-27(26)21-25)20-19-41(31)35(45)30(22-24-13-16-28(37)17-14-24)40-33(43)29-11-6-7-18-39-29/h4-7,9-18,21,30-32H,3,8,19-20,22-23H2,1-2H3,(H,38,44)(H,40,43)/t30-,31+,32+/m1/s1
PubChem CID25132867
ChEMBLCHEMBL448337
IUPHARN/A
BindingDB50253740
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
33348Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
33349Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
33350Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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