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Ligand

NameCHEMBL551964
Molecular formulaC27H25N5O2
IUPAC name2-[4-[[(2S)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl]piperazin-1-yl]quinoline-6-carbonitrile
Molecular weight451.53
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.3
SynonymsSCHEMBL5912876
2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl}piperazin-1-yl)-quinoline-6-carbonitrile
BDBM50295052
Inchi KeyAIBSVCNXTNBLRF-NRFANRHFSA-N
Inchi IDInChI=1S/C27H25N5O2/c1-18-2-5-22-24(29-18)7-8-25-27(22)34-21(17-33-25)16-31-10-12-32(13-11-31)26-9-4-20-14-19(15-28)3-6-23(20)30-26/h2-9,14,21H,10-13,16-17H2,1H3/t21-/m0/s1
PubChem CID44192200
ChEMBLCHEMBL551964
IUPHARN/A
BindingDB50295052
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
60845-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
6085D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
6086D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
6087D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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