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Ligand

NameCHEMBL3754496
Molecular formulaC16H19FN2
IUPAC nameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
Molecular weight258.34
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.9
SynonymsN,N-Diallyl-5-fluoro-1H-indole-3-ethanamine
BDBM50140053
J3.602.235C
Inchi KeyALTKABGEMCJWJH-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
PubChem CID127026052
ChEMBLCHEMBL3754496
IUPHARN/A
BindingDB50140053
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: 22
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
5216905-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5216945-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
5216835-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
5216965-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
5216885-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5217005-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5216995-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
5216915-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
5216925-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5216955-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
521701Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
521684Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
521682Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
521697Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
521681Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
521680Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
521689D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
521685D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
521687Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
521698Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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