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
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 273.26
Logarithm of the Partition Coefficient (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
CHEMBL287833
CAS Number
181144-66-1
TTD ID
D07EQF
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug

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 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) 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.