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Ligand

NameCHEMBL391042
Molecular formulaC25H31N3O2
IUPAC name4-ethynyl-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]benzamide
Molecular weight405.542
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
SynonymsN/A
Inchi KeyDYNZZJVVWIREMG-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N3O2/c1-3-21-11-13-22(14-12-21)25(29)26-15-7-4-8-16-27-17-19-28(20-18-27)23-9-5-6-10-24(23)30-2/h1,5-6,9-14H,4,7-8,15-20H2,2H3,(H,26,29)
PubChem CID44436612
ChEMBLCHEMBL391042
IUPHARN/A
BindingDBN/A
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: 5
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GLASS IDNameUniProtGeneSpeciesLength
721495-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
72150D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
72148D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
72147D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
523665D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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