General Information of Drug (ID: DMP65Z4)

Drug Name
Tetra-hydro-oxazolopyridine derivative 2
Synonyms PMID28067079-Compound-60
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 330.74
Topological Polar Surface Area (xlogp) 2.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C16H12ClFN4O
IUPAC Name
5-(5-chloropyridin-3-yl)-2-(5-fluoropyridin-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
Canonical SMILES
C1CN(CC2=C1OC(=N2)C3=NC=C(C=C3)F)C4=CC(=CN=C4)Cl
InChI
InChI=1S/C16H12ClFN4O/c17-10-5-12(8-19-6-10)22-4-3-15-14(9-22)21-16(23-15)13-2-1-11(18)7-20-13/h1-2,5-8H,3-4,9H2
InChIKey
OEQFRGKRTUFWNP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
86275459
TTD ID
D0DL1O

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]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_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
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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13 Pipeline of Addex Pharma. Addex Pharma. 2009.
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15 Social Communication is an Emerging Target for Pharmacotherapy in Autism Spectrum Disorder - A Review of the Literature on Potential Agents. J Can Acad Child Adolesc Psychiatry. 2014 February; 23(1):20-30.
16 A proof-of-concept study evaluating the effect of ADX10059, a metabotropic glutamate receptor-5 negative allosteric modulator, on acid exposure and... Gut. 2009 Sep;58(9):1192-9.
17 Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17.
18 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 293).
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20 Clinical pipeline report, company report or official report of Roche.