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Ligand

NameCHEMBL2207640
Molecular formulaC28H36N4O
IUPAC name1-(2-methoxyphenyl)-4-[[3-[(4-methylpiperazin-1-yl)methyl]azulen-1-yl]methyl]piperazine
Molecular weight444.623
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50401945
Inchi KeyPLYQWXWXIUOYQJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H36N4O/c1-29-12-14-30(15-13-29)21-23-20-24(26-9-5-3-4-8-25(23)26)22-31-16-18-32(19-17-31)27-10-6-7-11-28(27)33-2/h3-11,20H,12-19,21-22H2,1-2H3
PubChem CID71450707
ChEMBLCHEMBL2207640
IUPHARN/A
BindingDB50401945
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
2630395-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
263035D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
263038D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
263041D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
529069D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
263036Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
263040Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
263037Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
263034Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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