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Ligand

NameCHEMBL319113
Molecular formulaC23H20F2N4
IUPAC name1-N,3-N-bis[2-(4-fluorophenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-diimine
Molecular weight390.438
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50105665
1,3-Bis-[(Z)-2-(4-fluoro-phenyl)-ethylimino]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
Inchi KeyKVDAVLKIDYQUEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20F2N4/c24-18-5-1-16(2-6-18)9-13-27-22-20-11-12-26-15-21(20)23(29-22)28-14-10-17-3-7-19(25)8-4-17/h1-8,11-12,15H,9-10,13-14H2,(H,27,28,29)
PubChem CID136110896
ChEMBLCHEMBL319113
IUPHARN/A
BindingDB50105665
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
179027C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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