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Ligand

NameCHEMBL338501
Molecular formulaC21H14Cl2N4
IUPAC name3,4-dichloro-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide
Molecular weight393.271
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.0
SynonymsVUF8471
AC1LA7GQ
VUF-8471
BDBM50067087
3,4-dichloro-N-[3-(2-pyridyl)-1-isoquinolyl]benzamidine
[ Show all ]
Inchi KeyAATUFSKEEYLIOJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H14Cl2N4/c22-16-9-8-14(11-17(16)23)20(24)27-21-15-6-2-1-5-13(15)12-19(26-21)18-7-3-4-10-25-18/h1-12H,(H2,24,26,27)
PubChem CID463104
ChEMBLCHEMBL338501
IUPHARN/A
BindingDB50067087
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
535Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
533Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
534Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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