Details of the Drug

General Information of Drug (ID: DMI1OWK)

Drug Name
Imidazopyridine and triazolopyridine compound 4
Synonyms PMID28067079-Compound-108
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 351.29
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C16H10FN7O2
IUPAC Name
N-(5-fluoropyridin-2-yl)-6-pyrimidin-5-yloxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
Canonical SMILES
C1=CC(=NC=C1F)NC(=O)C2=CC(=CN3C2=NC=N3)OC4=CN=CN=C4
InChI
InChI=1S/C16H10FN7O2/c17-10-1-2-14(20-4-10)23-16(25)13-3-11(7-24-15(13)21-9-22-24)26-12-5-18-8-19-6-12/h1-9H,(H,20,23,25)
InChIKey
CBMXXEDRQZKTGZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
118096900
TTD ID
D0LI2I

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 5 (mGluR5) TTHS256 GRM5_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Metabotropic glutamate receptor 5 (mGluR5) DTT GRM5 9.81E-07 -0.26 -0.54
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 mGlu5 negative allosteric modulators: a patent review (2013 - 2016).Expert Opin Ther Pat. 2017 Jun;27(6):691-706.