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Ligand

NameCHEMBL18512
Molecular formulaC26H26FN3O2S
IUPAC name3-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
Molecular weight463.571
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.9
Synonyms2-{2-[4-((5-fluoro-3-indolyl)methyl)piperidino]ethyl}naphtho[1,8-cd]isothiazole 1,1-dioxide
AEXVRZSWDPHQBS-UHFFFAOYSA-N
2-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1-yl]-ethyl}-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
BDBM50047100
SCHEMBL9635346
Inchi KeyAEXVRZSWDPHQBS-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26FN3O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2
PubChem CID15646689
ChEMBLCHEMBL18512
IUPHARN/A
BindingDB50047100
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
3943D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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