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
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]
Molecular Interaction Atlas (MIA) 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) 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.