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Ligand

NameCHEMBL593613
Molecular formulaC21H26N4O
IUPAC name3-[2-(4-tert-butylphenyl)-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]phenol
Molecular weight350.466
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50304076
SCHEMBL14205947
3-(2-(4-tert-Butylphenyl)-5-((dimethylamino)methyl)-2H-1,2,4-triazol-3-yl)phenol
Inchi KeyAFYXROWBOMSTBN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26N4O/c1-21(2,3)16-9-11-17(12-10-16)25-20(15-7-6-8-18(26)13-15)22-19(23-25)14-24(4)5/h6-13,26H,14H2,1-5H3
PubChem CID25000426
ChEMBLCHEMBL593613
IUPHARN/A
BindingDB50304076
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4640Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
4643Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
4641Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
4642Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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