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Ligand

NameCHEMBL561511
Molecular formulaC29H36N4O2
IUPAC name[4-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]-quinolin-3-ylmethanone
Molecular weight472.633
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.5
Synonyms(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-ethyl}-piperazin-1-yl)-quinolin-3-yl-methanone
SCHEMBL2700583
BDBM50294849
CORRNILCUDTMSS-UHFFFAOYSA-N
(4-{2-[(5-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-ethyl}-piperazin-1-yl)-quinolin-3-ylmethanone
[ Show all ]
Inchi KeyCORRNILCUDTMSS-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H36N4O2/c1-2-12-32(25-10-11-26-22(20-25)7-5-9-28(26)34)16-13-31-14-17-33(18-15-31)29(35)24-19-23-6-3-4-8-27(23)30-21-24/h3-9,19,21,25,34H,2,10-18,20H2,1H3
PubChem CID45268070
ChEMBLCHEMBL561511
IUPHARN/A
BindingDB50294849
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
46947D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
46948D(3) dopamine receptorP19020Drd3Rattus norvegicus (Rat)446

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