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]
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
CHEMBL94508
CAS Number
95933-74-7
TTD ID
D0X1ZV
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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
Coagulation factor Xa (F10) TTCIHJA FA10_HUMAN Inhibitor [2]
Ribonucleotide reductase (RIR) TTX09M4 RIR1_HUMAN ; RIR2_HUMAN ; RIR2B_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) 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) 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.