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Ligand

NameCHEMBL1202520
Molecular formulaC26H31N5O2
IUPAC name12-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-12-azapentacyclo[4.4.3.12,5.17,10.01,6]pentadeca-3,8-diene-11,13-dione
Molecular weight445.567
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.9
SynonymsBDBM50367725
CHEMBL285141
Inchi KeyAGAOOOLNXNYSOT-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31N5O2/c32-22-25-18-4-5-19(16-18)26(25,21-7-6-20(25)17-21)23(33)31(22)11-2-1-10-29-12-14-30(15-13-29)24-27-8-3-9-28-24/h3-9,18-21H,1-2,10-17H2
PubChem CID14086530
ChEMBLN/A
IUPHARN/A
BindingDB50367725
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
46955-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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