Details of the Drug

General Information of Drug (ID: DMF9O6B)

• Drug Name: Gallium nitrate
• Synonyms: Ganite (TN)

Indication

Disease Entry	ICD 11	Status	REF
Hypercalcaemia	5B91.0	Approved	[1]

• Therapeutic Class: Anticancer Agents
• Affected Organisms: Humans and other mammals
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 255.74
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 0
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 9
• ADMET Property:
  BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [2]
  Elimination: 80% of drug is excreted from urine in the unchanged form [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 1 hour [3]
  MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 19.328 micromolar/kg/day [4]
• Chemical Identifiers:
  Formula: GaN3O9
  IUPAC Name: gallium;trinitrate
  Canonical SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ga+3]
  InChI: InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1
  InChIKey: CHPZKNULDCNCBW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 61635
  CAS Number: 13494-90-1
  UNII: Y2V2R4W9TQ
  DrugBank ID: DB05260
  TTD ID: D0R4ZT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Interleukin-1 beta (IL1B)	TTRYK0X	IL1B_HUMAN	Inhibitor	[5]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
60 kDa heat shock protein, mitochondrial (HSPD1)	OTTO1Y11	CH60_HUMAN	Gene/Protein Processing	[6]
Apoptosis regulator BAX (BAX)	OTAW0V4V	BAX_HUMAN	Gene/Protein Processing	[7]
Beta-2-microglobulin (B2M)	OTDWN6NX	B2MG_HUMAN	Gene/Protein Processing	[6]
Calreticulin (CALR)	OTYD2TR1	CALR_HUMAN	Gene/Protein Processing	[6]
Caspase-3 (CASP3)	OTIJRBE7	CASP3_HUMAN	Gene/Protein Processing	[7]
Catalase (CAT)	OTHEBX9R	CATA_HUMAN	Gene/Protein Processing	[6]
Cytoplasmic aconitate hydratase (ACO1)	OT2VUR7L	ACOHC_HUMAN	Gene/Protein Processing	[6]
DnaJ homolog subfamily A member 1 (DNAJA1)	OT38BZQQ	DNJA1_HUMAN	Gene/Protein Processing	[6]
Early growth response protein 1 (EGR1)	OTCP6XGZ	EGR1_HUMAN	Gene/Protein Processing	[6]
Endoplasmic reticulum chaperone BiP (HSPA5)	OTFUIRAO	BIP_HUMAN	Gene/Protein Processing	[6]

Molecular Expression Atlas of This Drug

• The Studied Disease: Hypercalcaemia
• ICD Disease Classification: 5B91.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Interleukin-1 beta (IL1B)	DTT	IL1B	4.74E-01	8.78E-03	0.02

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Gallium nitrate (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Remdesivir	DMBFZ6L	Moderate	Decreased renal excretion of Gallium nitrate caused by Remdesivir mediated nephrotoxicity.	1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019]	[8]
Inotersen	DMJ93CT	Major	Increased risk of nephrotoxicity by the combination of Gallium nitrate and Inotersen.	Amyloidosis [5D00]	[9]
Temsirolimus	DMS104F	Major	Increased risk of nephrotoxicity by the combination of Gallium nitrate and Temsirolimus.	Renal cell carcinoma [2C90]	[10]

References

• [1] Drug information of Gallium nitrate, 2008. eduDrugs.
• [2] BDDCS applied to over 900 drugs
• [3] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [4] Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
• [5] Elimination of arthritis pain and inflammation for over 2 years with a single 90 min, topical 14% gallium nitrate treatment: case reports and revie... Med Hypotheses. 2005;65(6):1136-41.
• [6] Role of oxidative stress in the induction of metallothionein-2A and heme oxygenase-1 gene expression by the antineoplastic agent gallium nitrate in human lymphoma cells. Free Radic Biol Med. 2008 Sep 15;45(6):763-72.
• [7] Gallium-induced cell death in lymphoma: role of transferrin receptor cycling, involvement of Bax and the mitochondria, and effects of proteasome inhibition. Mol Cancer Ther. 2006 Nov;5(11):2834-43. doi: 10.1158/1535-7163.MCT-06-0285.
• [8] Cerner Multum, Inc. "Australian Product Information.".
• [9] Cerner Multum, Inc. "UK Summary of Product Characteristics.".
• [10] Product Information. Prograf (tacrolimus). Fujisawa, Deerfield, IL.