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]
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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: CHEBI:5958
CAS Number: 54-92-2
DrugBank ID: DB04818
TTD ID: D08CNS

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Antileukoproteinase (SLPI)	OTUNFUU8	SLPI_HUMAN	Gene/Protein Processing	[3]
Bone morphogenetic protein 6 (BMP6)	OT9WN536	BMP6_HUMAN	Gene/Protein Processing	[3]
Hepatocyte growth factor receptor (MET)	OT7K55MU	MET_HUMAN	Gene/Protein Processing	[3]
Interleukin-24 (IL24)	OT4VUWH1	IL24_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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.