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]
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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

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]

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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.