General Information of Drug (ID: DM64CAS)

Drug Name
Didox
Synonyms
69839-83-4; N,3,4-Trihydroxybenzamide; 3,4-Dihydroxybenzohydroxamic acid; NSC-324360; Benzamide, N,3,4-trihydroxy-; 3,4-Dihydroxyphenylhydroxamic acid; UNII-L106XFV0RQ; VF 147; NSC 324360; DIDO; CCRIS 7909; BRN 2096682; L106XFV0RQ; C7H7NO4; NSC324360; AC1L1F1T; Benzamide,3,4-trihydroxy-; AC1Q5DI9; N-3,4-Tridhydroxybenzamide; SCHEMBL171446; CHEMBL367788; SCHEMBL18732059; Didox, > SCHEMBL18346609; CTK8F9165; DTXSID90220134; QJMCKEPOKRERLN-UHFFFAOYSA-N; MolPort-009-019-216; KS-00001DF2; BCP16846; ZINC3872288; 1716AH
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 169.13
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C7H7NO4
IUPAC Name
N,3,4-trihydroxybenzamide
Canonical SMILES
C1=CC(=C(C=C1C(=O)NO)O)O
InChI
InChI=1S/C7H7NO4/c9-5-2-1-4(3-6(5)10)7(11)8-12/h1-3,9-10,12H,(H,8,11)
InChIKey
QJMCKEPOKRERLN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3045
CAS Number
69839-83-4
UNII
L106XFV0RQ
DrugBank ID
DB12948
TTD ID
D04FXS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ribonucleotide reductase (RIR) TTX09M4 RIR1_HUMAN ; RIR2_HUMAN ; RIR2B_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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 800002464)
2 Didox (a novel ribonucleotide reductase inhibitor) overcomes Bcl-2 mediated radiation resistance in prostate cancer cell line PC-3. Cancer Biol Ther. 2002 Sep-Oct;1(5):539-45.