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Ligand

NameCHEMBL262794
Molecular formulaC19H19N3O2S
IUPAC name6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine-3,5-dicarbaldehyde
Molecular weight353.44
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.4
Synonyms9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene-1,10-dicarbaldehyde
BDBM50137983
SCHEMBL6208672
Inchi KeyAMECFCFFHHGFQV-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19N3O2S/c1-20-8-10-21(11-9-20)19-15-4-2-3-5-17(15)25-18-7-6-14(12-23)22(18)16(19)13-24/h2-7,12-13H,8-11H2,1H3
PubChem CID11325669
ChEMBLCHEMBL262794
IUPHARN/A
BindingDB50137983
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
87925-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
8791D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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