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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.