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Ligand

NameMLS003151666
Molecular formulaC16H18N4
IUPAC name5,7-dimethyl-2-piperazin-1-ylquinoline-3-carbonitrile
Molecular weight266.348
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
Synonyms5,7-dimethyl-2-piperazin-1-yl-quinoline-3-carbonitrile
cid_28809628
SMR001856260
5,7-dimethyl-2-piperazin-1-ylquinoline-3-carbonitrile
AKOS022212891
[ Show all ]
Inchi KeyAGWQWXZPAVLKSU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N4/c1-11-7-12(2)14-9-13(10-17)16(19-15(14)8-11)20-5-3-18-4-6-20/h7-9,18H,3-6H2,1-2H3
PubChem CID28809628
ChEMBLCHEMBL2357580
IUPHARN/A
BindingDB96830
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5301Trace amine-associated receptor 1Q96RJ0TAAR1Homo sapiens (Human)339

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