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Ligand

NameCHEMBL1269127
Molecular formulaC31H57N5O2
IUPAC name(2S)-2-[[2-(1-adamantyl)acetyl]amino]-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-cyclohexylpropanamide
Molecular weight531.83
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP5.0
SynonymsBDBM50329478
(S)-2-(2-Adamantan-1-yl-acetylamino)-N-{3-[4-(3-amino-propylamino)-butylamino]-propyl}-3-cyclohexyl-propionamide
Inchi KeyBSXAXDHXYFYFPY-BFBPZRSYSA-N
Inchi IDInChI=1S/C31H57N5O2/c32-10-6-13-33-11-4-5-12-34-14-7-15-35-30(38)28(19-24-8-2-1-3-9-24)36-29(37)23-31-20-25-16-26(21-31)18-27(17-25)22-31/h24-28,33-34H,1-23,32H2,(H,35,38)(H,36,37)/t25?,26?,27?,28-,31?/m0/s1
PubChem CID49788806
ChEMBLCHEMBL1269127
IUPHARN/A
BindingDB50329478
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32067Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194

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