Details of the Drug

General Information of Drug (ID: DMISXUM)

Drug Name
N-Hydroxy-2-(naphthalen-2-ylsulfanyl)-acetamide
Synonyms CHEMBL182879; 834918-57-9; N-Hydroxy-2-(naphthalen-2-ylsulfanyl)-acetamide; CTK3D2016; DTXSID40465831; BDBM50157325; AKOS030565680; Acetamide, N-hydroxy-2-(2-naphthalenylthio)-
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) 233.29
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C12H11NO2S
IUPAC Name
N-hydroxy-2-naphthalen-2-ylsulfanylacetamide
Canonical SMILES
C1=CC=C2C=C(C=CC2=C1)SCC(=O)NO
InChI
InChI=1S/C12H11NO2S/c14-12(13-15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14)
InChIKey
GNDJOJQVOFQQBM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11436221
CAS Number
834918-57-9
TTD ID
D06AFP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aminopeptidase N (ANPEP) TTPHMWB AMPN_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
Aminopeptidase N (ANPEP) DTT ANPEP 8.84E-07 -0.3 -0.71
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 N-hydroxy-2-(naphthalene-2-ylsulfanyl)-acetamide, a novel hydroxamic acid-based inhibitor of aminopeptidase N and its anti-angiogenic activity. Bioorg Med Chem Lett. 2005 Jan 3;15(1):181-3.