Details of the Drug

General Information of Drug (ID: DMP2GN7)

Drug Name
4-aminobenzoic acid hydrazide
Synonyms
4-Aminobenzohydrazide; 5351-17-7; 4-Aminobenzhydrazide; 4-Aminobenzoic acid hydrazide; Amben hydrazide; p-Aminobenzhydrazide; Aminostimil; p-Aminobenzoic acid hydrazide; 4-Aminobenzoylhydrazine; p-Aminobenzoyl hydrazide; Benzoic acid, 4-amino-, hydrazide; p-Aminobenzoic hydrazide; p-Aminobenzoylhydrazine; para-Aminobenzhydrazide; NSC 640; BENZOIC ACID, p-AMINO-, HYDRAZIDE; EINECS 226-324-4; Myeloperoxidase Inhibitor-I; BRN 0639053; AI3-52435; CHEMBL2170241; (4-Aminobenzoyl)hydrazide, 95%; WPBZMCGPFHZRHJ-UHFFFAOYSA-N
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) 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
ChEBI ID
CHEMBL2170241
CAS Number
5351-17-7
TTD ID
D05OZR
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Myeloperoxidase (MPO) TTVCZPI PERM_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
Myeloperoxidase (MPO) DTT MPO 2.88E-01 -0.02 -0.16
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Myeloperoxidase expression as a potential determinant of parthenolide-induced apoptosis in leukemia bulk and leukemia stem cells. J Pharmacol Exp Ther. 2010 Nov;335(2):389-400.