Details of the Drug

General Information of Drug (ID: DMR2EUV)

Drug Name	V-102862
Synonyms	CO 102862; UNII-0KN11H90GF; 181144-66-1; V-102862; CHEMBL287833; 0KN11H90GF; 4-(4-fluorophenoxy)benzaldehyde semicarbazone; (E)-2-(4-(4-fluorophenoxy)benz-ylidene)hydrazinecarboxamide; V102862; 2-(4-(4-Fluorophenoxy)benzylidene)hydrazinecarboxamide; 2-((4-(4-Fluorophenoxy)phenyl)methylene)hydrazinecarboxamide; CO-102862; 2-[[4-(4-Fluorophenoxy)phenyl]methylene]hydrazinecarboxamide; Hydrazinecarboxamide, 2-((4-(4-fluorophenoxy)phenyl)methylene)-; CHEBI:92156; MolPort-022-863-701; BDBM50141073; AKOS016004881; NCGC00167807-01
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	273.26
	Topological Polar Surface Area (xlogp)	3.1
	Rotatable Bond Count (rotbonds)	4
	Hydrogen Bond Donor Count (hbonddonor)	2
	Hydrogen Bond Acceptor Count (hbondacc)	4
Chemical Identifiers	Formula C14H12FN3O2 IUPAC Name [(E)-[4-(4-fluorophenoxy)phenyl]methylideneamino]urea Canonical SMILES C1=CC(=CC=C1/C=N/NC(=O)N)OC2=CC=C(C=C2)F InChI InChI=1S/C14H12FN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)/b17-9+ InChIKey MHUUDVZSPFRUSK-RQZCQDPDSA-N
Cross-matching ID	PubChem CID 9816959 ChEBI ID CHEBI:92156 CAS Number 181144-66-1 TTD ID D07EQF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated sodium channel alpha Nav1.4 (SCN4A)	TT84DRB	SCN4A_HUMAN	Inhibitor	[1]
Voltage-gated sodium channel alpha Nav1.7 (SCN9A)	TT4G2JS	SCN9A_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Voltage-gated sodium channel alpha Nav1.7 (SCN9A)	DTT	SCN9A	1.42E-03	-0.12	-0.36

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	3-(4-phenoxyphenyl)pyrazoles: a novel class of sodium channel blockers. J Med Chem. 2004 Mar 11;47(6):1547-52.
2	Substituted biaryl oxazoles, imidazoles, and thiazoles as sodium channel blockers. Bioorg Med Chem Lett. 2010 Sep 15;20(18):5536-40.
3	Tolperisone-type drugs inhibit spinal reflexes via blockade of voltage-gated sodium and calcium channels. J Pharmacol Exp Ther. 2005 Dec;315(3):1237-46.
4	Oxadiazolylindazole sodium channel modulators are neuroprotective toward hippocampal neurones. J Med Chem. 2009 May 14;52(9):2694-707.
5	Point mutations in segment I-S6 render voltage-gated Na+ channels resistant to batrachotoxin. Proc Natl Acad Sci U S A. 1998 Mar 3;95(5):2653-8.
6	Structure/function characterization of micro-conotoxin KIIIA, an analgesic, nearly irreversible blocker of mammalian neuronal sodium channels. J Biol Chem. 2007 Oct 19;282(42):30699-706.
7	Treatment of Na(v)1.7-mediated pain in inherited erythromelalgia using a novel sodium channel blocker. Pain. 2012 Jan;153(1):80-5.
8	Primary erythromelalgia: a review. Orphanet J Rare Dis. 2015 Sep 30;10:127.
9	Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.
10	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
11	Recent progress in sodium channel modulators for pain. Bioorg Med Chem Lett. 2014 Aug 15;24(16):3690-9.
12	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800041740)