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Ligand

NameCHEMBL2207638
Molecular formulaC28H35N3O
IUPAC name1-(2-methoxyphenyl)-4-[[3-(piperidin-1-ylmethyl)azulen-1-yl]methyl]piperazine
Molecular weight429.608
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50401947
Inchi KeyIOFOPIMDJBEBFZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H35N3O/c1-32-28-13-7-6-12-27(28)31-18-16-30(17-19-31)22-24-20-23(21-29-14-8-3-9-15-29)25-10-4-2-5-11-26(24)25/h2,4-7,10-13,20H,3,8-9,14-19,21-22H2,1H3
PubChem CID71457844
ChEMBLCHEMBL2207638
IUPHARN/A
BindingDB50401947
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
1378695-hydroxytryptamine receptor 2AP50129HTR2ASus scrofa (Pig)470
137873D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
137868D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
137874D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
525498D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467
137871Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
137872Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
137875Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
137870Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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