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Ligand

NameCHEMBL367875
Molecular formulaC21H27N3OS
IUPAC name6-(4-methylpiperazin-1-yl)-3-(propan-2-yloxymethyl)pyrrolo[2,1-b][1,3]benzothiazepine
Molecular weight369.527
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.4
SynonymsSCHEMBL6210142
BDBM50137985
1-Isopropoxymethyl-9-(4-methyl-piperazin-1-yl)-4-thia-10a-aza-benzo[f]azulene
Inchi KeyABCRKPVZDDXKEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27N3OS/c1-16(2)25-15-17-8-9-21-24(17)14-19(23-12-10-22(3)11-13-23)18-6-4-5-7-20(18)26-21/h4-9,14,16H,10-13,15H2,1-3H3
PubChem CID11222444
ChEMBLCHEMBL367875
IUPHARN/A
BindingDB50137985
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
7435-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
742D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
744D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
745D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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