Details of the Drug

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
ChEBI ID
CHEMBL367788
CAS Number
69839-83-4
UNII
L106XFV0RQ
DrugBank ID
DB12948
TTD ID
D04FXS
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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.