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Ligand

NameCHEMBL3099780
Molecular formulaC23H26N4O5
IUPAC name(2S)-2-[[2-(2,6-dimethoxyphenyl)-1-pyridin-4-ylimidazole-4-carbonyl]amino]-4-methylpentanoic acid
Molecular weight438.484
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.1
SynonymsMLS004254792
SMR003080907
BDBM50444953
MLS-0437333.0001
(2S)-2-{[2-(2,6-dimethoxyphenyl)-1-(4-pyridyl)imidazol-4-yl]carbonylamino}-4-methylpentanoic acid
Inchi KeyDGSICICPWTYPLC-INIZCTEOSA-N
Inchi IDInChI=1S/C23H26N4O5/c1-14(2)12-16(23(29)30)26-22(28)17-13-27(15-8-10-24-11-9-15)21(25-17)20-18(31-3)6-5-7-19(20)32-4/h5-11,13-14,16H,12H2,1-4H3,(H,26,28)(H,29,30)/t16-/m0/s1
PubChem CID49837921
ChEMBLCHEMBL3099780
IUPHARN/A
BindingDB50444953
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
59559Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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