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Ligand

NameCHEMBL1269131
Molecular formulaC31H48N6O3
IUPAC nameN-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-oxo-6-[(2-phenylacetyl)amino]hexan-2-yl]benzamide
Molecular weight552.764
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP2.2
SynonymsBDBM50329482
(S)-N-(22-amino-2,9-dioxo-1-phenyl-3,10,14,19-tetraazadocosan-8-yl)benzamide
Inchi KeyAWQSDFYHCFZOJA-NDEPHWFRSA-N
Inchi IDInChI=1S/C31H48N6O3/c32-18-11-21-33-19-9-10-20-34-22-12-24-36-31(40)28(37-30(39)27-15-5-2-6-16-27)17-7-8-23-35-29(38)25-26-13-3-1-4-14-26/h1-6,13-16,28,33-34H,7-12,17-25,32H2,(H,35,38)(H,36,40)(H,37,39)/t28-/m0/s1
PubChem CID52946879
ChEMBLCHEMBL1269131
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16274Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194

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