Details of the Drug

General Information of Drug (ID: DMVMXKP)

Drug Name
VU0092145
Synonyms VU 0092145
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 342.4
Logarithm of the Partition Coefficient (xlogp) 5.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C23H22N2O
IUPAC Name
3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
Canonical SMILES
CC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C(C)C4=CC=CC=C4
InChI
InChI=1S/C23H22N2O/c1-16-12-14-19(15-13-16)25-22(17(2)18-8-4-3-5-9-18)24-21-11-7-6-10-20(21)23(25)26/h3-15,17,22,24H,1-2H3
InChIKey
QZAOSZVJAXUJFE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4052597
ChEBI ID
CHEMBL473806
TTD ID
D07IOB
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 4 (mGluR4) TTICZ1O GRM4_HUMAN Modulator (allosteric modulator) [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 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. (Ligand id: 6229).
2 Positive allosteric modulators of the metabotropic glutamate receptor subtype 4 (mGluR4). Part II: Challenges in hit-to-lead. Bioorg Med Chem Lett. 2009 Feb 1;19(3):962-6.