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Ligand

NameCHEMBL3421991
Molecular formulaC23H18ClN5O
IUPAC name[4-(4-chlorophenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
Molecular weight415.881
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50081209
Inchi KeyAMXMHHADTVOXCR-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H18ClN5O/c24-19-10-8-17(9-11-19)16-4-6-18(7-5-16)23(30)28-13-14-29-21(15-28)26-27-22(29)20-3-1-2-12-25-20/h1-12H,13-15H2
PubChem CID118735345
ChEMBLCHEMBL3421991
IUPHARN/A
BindingDB50081209
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
442075Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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