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Ligand

NameCHEMBL291634
Molecular formulaC28H28N4O3
IUPAC nameN-[2-[[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1H-indole-3-carboxamide
Molecular weight468.557
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.7
Synonyms1H-Indole-3-carboxylic acid {[(R)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethylcarbamoyl]-methyl}-amide
BDBM50030195
Inchi KeyAYDXNOSBFGCYCO-RUZDIDTESA-N
Inchi IDInChI=1S/C28H28N4O3/c1-32(19-21-12-6-3-7-13-21)28(35)25(16-20-10-4-2-5-11-20)31-26(33)18-30-27(34)23-17-29-24-15-9-8-14-22(23)24/h2-15,17,25,29H,16,18-19H2,1H3,(H,30,34)(H,31,33)/t25-/m1/s1
PubChem CID44306416
ChEMBLCHEMBL291634
IUPHARN/A
BindingDB50030195
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
17372Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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