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Ligand

NameCHEMBL214410
Molecular formulaC35H45FN8O3
IUPAC name(2S)-2-[(3S)-3-[3-(diaminomethylideneamino)propyl]-4-[(2R)-3-(4-fluorophenyl)-2-piperazin-1-ylpropanoyl]-2-oxopiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
Molecular weight644.796
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50189023
(S)-2-((S)-4-((R)-3-(4-fluorophenyl)-2-(piperazin-1-yl)propanoyl)-3-(3-guanidinopropyl)-2-oxopiperazin-1-yl)-N-methyl-3-(naphthalen-2-yl)propanamide
Inchi KeyBZEWEHPSOMSRJV-RWSKJCERSA-N
Inchi IDInChI=1S/C35H45FN8O3/c1-39-32(45)30(23-25-8-11-26-5-2-3-6-27(26)21-25)44-20-19-43(29(33(44)46)7-4-14-41-35(37)38)34(47)31(42-17-15-40-16-18-42)22-24-9-12-28(36)13-10-24/h2-3,5-6,8-13,21,29-31,40H,4,7,14-20,22-23H2,1H3,(H,39,45)(H4,37,38,41)/t29-,30-,31+/m0/s1
PubChem CID44415920
ChEMBLCHEMBL214410
IUPHARN/A
BindingDB50189023
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
36372Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
36373Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
36374Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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