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Ligand

NameCHEMBL2207637
Molecular formulaC25H31N3O
IUPAC name1-[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]azulen-1-yl]-N,N-dimethylmethanamine
Molecular weight389.543
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50401948
Inchi KeyHRHSURDPAJFNRA-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N3O/c1-26(2)18-20-17-21(23-10-6-4-5-9-22(20)23)19-27-13-15-28(16-14-27)24-11-7-8-12-25(24)29-3/h4-12,17H,13-16,18-19H2,1-3H3
PubChem CID71456046
ChEMBLCHEMBL2207637
IUPHARN/A
BindingDB50401948
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: 9
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GLASS IDNameUniProtGeneSpeciesLength
1220795-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
122080D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
122078D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
122076D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
525056D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
122082Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
122083Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
122077Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
122081Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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