Details of the Drug

General Information of Drug (ID: DMG8A74)

Drug Name
Naphthalene-2-carboxylic acid hydroxyamide
Synonyms
2-Naphthohydroximic acid; 2-Naphthylhydroxamic acid; N,N-Naphthaloylhydroxylamine; 2-NAPHTHOHYDROXAMIC ACID; 10335-79-2; 2-Naphthoylhydroxamic acid; 2-Naphthalenecarboxamide, N-hydroxy-; N-Hydroxy-2-naphthalenecarboxamide; Naphthalene-2-carboxylic acid hydroxyamide; CHEMBL156672; N-hydroxynaphthalene-2-carboxamide; SCHEMBL6010034; AC1L18K7; DTXSID70145795; KUC110312N; BDBM50015160; AKOS000178377; KSC-264-28-1; LS-95339; 2-Naphthalenecarboxamide, N-hydroxy- (9CI)
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 187.19
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C11H9NO2
IUPAC Name
N-hydroxynaphthalene-2-carboxamide
Canonical SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)NO
InChI
InChI=1S/C11H9NO2/c13-11(12-14)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,14H,(H,12,13)
InChIKey
PCJLUGWQCHMMAG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25164
CAS Number
10335-79-2
TTD ID
D04UJI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Hydroxamic acid inhibitors of 5-lipoxygenase: quantitative structure-activity relationships. J Med Chem. 1990 Mar;33(3):992-8.