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Ligand

NameCHEMBL356743
Molecular formulaC25H31N5OS
IUPAC nameN-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
Molecular weight449.617
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.7
Synonyms1,2,3,4-Tetrahydro-quinoline-8-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
BDBM50054710
N-[4-[4-(1,2-Benzisothiazol-3-yl)piperazino]butyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SCHEMBL9213593
Inchi KeyRPBVWEILTAVEHF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5,7,9-11,26H,3-4,6,8,12-18H2,(H,27,31)
PubChem CID10694821
ChEMBLCHEMBL356743
IUPHARN/A
BindingDB50054710
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
3017375-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
301738D(2) dopamine receptorP61168Drd2Mus musculus (Mouse)444

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