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Ligand

NameCHEMBL240376
Molecular formulaC25H31N3O2
IUPAC name3-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 KeyAXSCRQVZSSXGSH-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N3O2/c1-3-21-10-9-11-22(20-21)25(29)26-14-7-4-8-15-27-16-18-28(19-17-27)23-12-5-6-13-24(23)30-2/h1,5-6,9-13,20H,4,7-8,14-19H2,2H3,(H,26,29)
PubChem CID44436616
ChEMBLCHEMBL240376
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
170325-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
17030D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
17029D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
17031D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
521975D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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