Details of the Drug

General Information of Drug (ID: DM9L2VR)

Drug Name
PMID28454500-Compound-95
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 151.17
Logarithm of the Partition Coefficient (xlogp) -0.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C7H9N3O
IUPAC Name
4-aminobenzohydrazide
Canonical SMILES
C1=CC(=CC=C1C(=O)NN)N
InChI
InChI=1S/C7H9N3O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
InChIKey
WPBZMCGPFHZRHJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
21450
CAS Number
5351-17-7
TTD ID
D0RO7A

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nuclear factor erythroid 2-related factor 2 (Nrf2) TTA6ZN2 NF2L2_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Myeloperoxidase (MPO) OTOOXLIN PERM_HUMAN Gene/Protein Processing [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
Nuclear factor erythroid 2-related factor 2 (Nrf2) DTT NFE2L2 4.75E-12 -0.28 -0.58
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Recent progress in the development of small molecule Nrf2 modulators: a patent review (2012-2016).Expert Opin Ther Pat. 2017 Jul;27(7):763-785.
2 7-Hydroxycoumarin modulates the oxidative metabolism, degranulation and microbial killing of human neutrophils. Chem Biol Interact. 2013 Oct 25;206(1):63-75. doi: 10.1016/j.cbi.2013.08.010. Epub 2013 Aug 28.