Details of the Drug

General Information of Drug (ID: DM42ENF)

Drug Name
IPRONIAZIDE
Synonyms
iproniazid; 54-92-2; N'-Isopropylisonicotinohydrazide; Iprazid; Marsilid; Iproniazide; Euphozid; Rivivol; Marsalid; Yatrozide; 4-Pyridinecarboxylic acid, 2-(1-methylethyl)hydrazide; Iproniazyd [Polish]; Propilniazida; Ipronid; Ro 2-4572; N'-Isopropylisonicotinoylhydrazide; Iproniazide [INN-French]; Iproniazidum [INN-Latin]; UNII-D892HFI3XA; Iproniazida [INN-Spanish]; 1-Isonicotinoyl-2-isopropylhydrazine; N'-isopropylpyridine-4-carbohydrazide; CCRIS 9177; C9H13N3O; P 887; EINECS 200-218-8; Isonicotinic acid 2-isopropylhydrazide; BRN 0
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Affected Organisms
Humans and other mammals
ATC Code
N06AF05: IPRONIAZIDE
N06AF: Monoamine oxidase inhibitors, non-selective
N06A: ANTIDEPRESSANTS
N06: PSYCHOANALEPTICS
N: NERVOUS SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 179.22
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
Chemical Identifiers
Formula
C9H13N3O
IUPAC Name
N'-propan-2-ylpyridine-4-carbohydrazide
Canonical SMILES
CC(C)NNC(=O)C1=CC=NC=C1
InChI
InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
InChIKey
NYMGNSNKLVNMIA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3748
ChEBI ID
CHEMBL92401
CAS Number
54-92-2
UNII
D892HFI3XA
DrugBank ID
DB04818
TTD ID
D08CNS
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type A (MAO-A) TT3WG5C AOFA_HUMAN Inhibitor [1]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Antileukoproteinase (SLPI) OTUNFUU8 SLPI_HUMAN Gene/Protein Processing [3]
Hepatocyte growth factor receptor (MET) OT7K55MU MET_HUMAN Gene/Protein Processing [3]
Interleukin-8 (CXCL8) OTS7T5VH IL8_HUMAN Gene/Protein Processing [3]
Proepiregulin (EREG) OTRM4NQY EREG_HUMAN Gene/Protein Processing [3]
PTB-containing, cubilin and LRP1-interacting protein (PID1) OT5YJ7FI PCLI1_HUMAN Gene/Protein Processing [3]
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
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Monoamine oxidase type A (MAO-A) DTT MAOA 8.14E-01 0.05 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Design of novel nicotinamides as potent and selective monoamine oxidase a inhibitors. Bioorg Med Chem. 2010 Feb 15;18(4):1659-64.
2 BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
3 An in vitro coculture system of human peripheral blood mononuclear cells with hepatocellular carcinoma-derived cells for predicting drug-induced liver injury. Arch Toxicol. 2021 Jan;95(1):149-168. doi: 10.1007/s00204-020-02882-4. Epub 2020 Aug 20.