Details of the Drug

General Information of Drug (ID: DMY8GDA)

Drug Name

Trimidox

Synonyms

3,4,5-Trihydroxybenzamidoxime; CCRIS 7910; Benzenecarboximidamide, N,3,4,5-tetrahydroxy-; 95933-74-7; AC1NUZ8S; SCHEMBL4168968; CHEMBL1214553; CHEBI:94508; N,3,4,5-tetrahydroxybenzamidine; MolPort-044-561-997; N',3,4,5-Tetrahydroxybenzimidamide; 3,4,5-Trihydroxybenzamidoxamic acid; LS-29453; BRD-K11801786-003-01-7; T01312

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

184.15

Logarithm of the Partition Coefficient (xlogp)

0.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C7H8N2O4
IUPAC Name: N',3,4,5-tetrahydroxybenzenecarboximidamide
Canonical SMILES: C1=C(C=C(C(=C1O)O)O)/C(=N/O)/N
InChI: InChI=1S/C7H8N2O4/c8-7(9-13)3-1-4(10)6(12)5(11)2-3/h1-2,10-13H,(H2,8,9)
InChIKey: MSLJYSGFUMYUDX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 135409350
ChEBI ID: CHEBI:94508
CAS Number: 95933-74-7
TTD ID: D0X1ZV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor Xa (F10)	TTCIHJA	FA10_HUMAN	Inhibitor	[2]
Ribonucleotide reductase (RIR)	TTX09M4	RIR1_HUMAN ; RIR2_HUMAN ; RIR2B_HUMAN	Inhibitor	[3]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Catalase (CAT)	OTHEBX9R	CATA_HUMAN	Gene/Protein Processing	[4]

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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

Solid tumour/cancer

ICD Disease Classification

2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Coagulation factor Xa (F10)	DTT	F10	4.84E-02	-0.28	-0.9

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004681)
2	Computer-aided design of a factor Xa inhibitor by using MCSS functionality maps and a CAVEAT linker search. J Mol Graph Model. 2003 Nov;22(2):105-14.
3	Suppression of retrovirus-induced immunodeficiency disease (murine AIDS) by trimidox and didox: novel ribonucleotide reductase inhibitors with less bone marrow toxicity than hydroxyurea. Antiviral Res. 2002 Nov;56(2):167-81.
4	Preventive effect of trimidox on oxidative stress in U937 cell line. Biol Pharm Bull. 2007 May;30(5):994-8.