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Ligand

NameCHEMBL357303
Molecular formulaC19H20Cl2N4O2
IUPAC name3-[[[(1S)-2-[(3,5-dichlorophenyl)methoxy]-1-phenylethyl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
Molecular weight407.295
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50069656
5-({[(S)-2-(3,5-Dichloro-benzyloxy)-1-phenyl-ethyl]-methyl-amino}-methyl)-2,4-dihydro-[1,2,4]triazol-3-one
Inchi KeyAHNDXCBZSBFXRZ-QGZVFWFLSA-N
Inchi IDInChI=1S/C19H20Cl2N4O2/c1-25(10-18-22-19(26)24-23-18)17(14-5-3-2-4-6-14)12-27-11-13-7-15(20)9-16(21)8-13/h2-9,17H,10-12H2,1H3,(H2,22,23,24,26)/t17-/m1/s1
PubChem CID136180339
ChEMBLCHEMBL357303
IUPHARN/A
BindingDB50069656
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
5705Substance-P receptorP25103TACR1Homo sapiens (Human)407

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