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Ligand

NameCHEMBL367045
Molecular formulaC17H19N3S
IUPAC name6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine
Molecular weight297.42
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.0
Synonyms9-(4-Methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene
SCHEMBL3286899
BDBM50137976
395073-74-2
JFLBTRDHDHTNGX-UHFFFAOYSA-N
[ Show all ]
Inchi KeyJFLBTRDHDHTNGX-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19N3S/c1-18-9-11-19(12-10-18)15-13-20-8-4-7-17(20)21-16-6-3-2-5-14(15)16/h2-8,13H,9-12H2,1H3
PubChem CID9796255
ChEMBLCHEMBL367045
IUPHARN/A
BindingDB50137976
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1497015-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
1497075-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
149706D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
149702D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
149703D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
149700D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446
149704D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
149705Histamine H1 receptorP31390Hrh1Rattus norvegicus (Rat)486
149699Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

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