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Ligand

NameCHEMBL317333
Molecular formulaC26H24FN5
IUPAC name3-[4-[1-(4-fluorophenyl)-5-pyrimidin-2-ylindol-3-yl]piperidin-1-yl]propanenitrile
Molecular weight425.511
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.0
SynonymsSCHEMBL6598143
BDBM50122806
3-{4-[1-(4-Fluoro-phenyl)-5-pyrimidin-2-yl-1H-indol-3-yl]-piperidin-1-yl}-propionitrile
Inchi KeyALBWWALSEOWKRA-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H24FN5/c27-21-4-6-22(7-5-21)32-18-24(19-9-15-31(16-10-19)14-1-11-28)23-17-20(3-8-25(23)32)26-29-12-2-13-30-26/h2-8,12-13,17-19H,1,9-10,14-16H2
PubChem CID10310103
ChEMBLCHEMBL317333
IUPHARN/A
BindingDB50122806
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: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
81165-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
81205-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
81155-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
81125-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
8118Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
8113Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
8117Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
8119D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
8111D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
8110D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
8114D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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