Details of the Drug

General Information of Drug (ID: DMYZVPD)

Drug Name

PMID25666693-Compound-135

Indication

Disease Entry	ICD 11	Status	REF
Cancer related pain	MG30	Patented	[1]
Inflammatory pain	MG30.42	Patented	[1]
Neuropathic pain	8E43.0	Patented	[1]
Osteoarthritis pain	MG30.31	Patented	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

347.3

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C18H16F3N3O
IUPAC Name: 7-amino-2-propan-2-yl-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
Canonical SMILES: CC(C)C1=NC2=C(C=CC(=C2)N)C(=O)N1C3=CC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C18H16F3N3O/c1-10(2)16-23-15-9-12(22)5-8-14(15)17(25)24(16)13-6-3-11(4-7-13)18(19,20)21/h3-10H,22H2,1-2H3
InChIKey: BRVXMMDZSNVASE-UHFFFAOYSA-N

Cross-matching ID

Repurposed Drugs (RPD)

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Transient receptor potential cation channel V1 (TRPV1)	TTMI6F5	TRPV1_HUMAN	Antagonist	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Transient receptor potential vanilloid type 1 antagonists: a patent review (2011 - 2014).Expert Opin Ther Pat. 2015 Mar;25(3):291-318.