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Ligand

NameCHEMBL362060
Molecular formulaC18H19N3OS
IUPAC name6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine-3-carbaldehyde
Molecular weight325.43
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.7
Synonyms9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene-1-carbaldehyde
BDBM50137984
SCHEMBL6209665
Inchi KeyBNUHYEGPJNDGQR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19N3OS/c1-19-8-10-20(11-9-19)16-12-21-14(13-22)6-7-18(21)23-17-5-3-2-4-15(16)17/h2-7,12-13H,8-11H2,1H3
PubChem CID9945168
ChEMBLCHEMBL362060
IUPHARN/A
BindingDB50137984
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
284555-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
28454D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
28453D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
28456D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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