Details of the Drug

General Information of Drug (ID: DMB2RML)

Drug Name

PMID25666693-Compound-107

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

414.5

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C22H21F3N2OSi
IUPAC Name: 4-[3-(trifluoromethyl)pyridin-2-yl]-N-(4-trimethylsilylphenyl)benzamide
Canonical SMILES: C[Si](C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=C(C=CC=N3)C(F)(F)F
InChI: InChI=1S/C22H21F3N2OSi/c1-29(2,3)18-12-10-17(11-13-18)27-21(28)16-8-6-15(7-9-16)20-19(22(23,24)25)5-4-14-26-20/h4-14H,1-3H3,(H,27,28)
InChIKey: ATDYJIBFGKJFQE-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.