Details of the Drug

General Information of Drug (ID: DM7C0R8)

Drug Name
Tetra-hydro-imidazo[1,5-d][1,4]oxazepin-3-yl derivative 5
Synonyms PMID25435285-Compound-95
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 421.5
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C25H28FN3O2
IUPAC Name
(6R)-3-(4-cyclopropyloxy-3-methylphenyl)-1-[2-(fluoromethyl)-6-methylpyridin-4-yl]-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
Canonical SMILES
C[C@@H]1CN2C(=C(N=C2C3=CC(=C(C=C3)OC4CC4)C)C5=CC(=NC(=C5)C)CF)CCO1
InChI
InChI=1S/C25H28FN3O2/c1-15-10-18(4-7-23(15)31-21-5-6-21)25-28-24(19-11-16(2)27-20(12-19)13-26)22-8-9-30-17(3)14-29(22)25/h4,7,10-12,17,21H,5-6,8-9,13-14H2,1-3H3/t17-/m1/s1
InChIKey
AOKFYLVAJDLEJH-QGZVFWFLSA-N
Cross-matching ID
PubChem CID
131636429
ChEBI ID
CHEMBL4112889
TTD ID
D0Q2FC
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 2 (mGluR2) TTXJ47W GRM2_HUMAN Antagonist [1]
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Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Metabotropic glutamate receptor 2 (mGluR2) DTT GRM2 1.09E-01 -0.11 -0.2
Metabotropic glutamate receptor 2 (mGluR2) DTT GRM2 3.19E-01 -0.06 -0.34
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References

1 Novel metabotropic glutamate receptor 2/3 antagonists and their therapeutic applications: a patent review (2005 - present).Expert Opin Ther Pat. 2015 Jan;25(1):69-90.