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Ligand

NameCHEMBL252818
Molecular formulaC24H28N4OS
IUPAC nameN-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide
Molecular weight420.575
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
SynonymsN-{6-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-indan-1-yl}-acetamide
ACZCVZUKGWGYJX-UHFFFAOYSA-N
SCHEMBL5396017
BDBM50231459
N-(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-2,3-dihydro-1H-inden-1-yl)acetamide
Inchi KeyACZCVZUKGWGYJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28N4OS/c1-17(29)25-22-9-8-19-7-6-18(16-21(19)22)10-11-27-12-14-28(15-13-27)24-20-4-2-3-5-23(20)30-26-24/h2-7,16,22H,8-15H2,1H3,(H,25,29)
PubChem CID11384634
ChEMBLCHEMBL252818
IUPHARN/A
BindingDB50231459
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
20465-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
20445-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
2045Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
2047D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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