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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

255.74

Topological Polar Surface Area

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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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]	[16]
Inotersen	DMJ93CT	Major	Increased risk of nephrotoxicity by the combination of Gallium nitrate and Inotersen.	Amyloidosis [5D00]	[17]
Temsirolimus	DMS104F	Major	Increased risk of nephrotoxicity by the combination of Gallium nitrate and Temsirolimus.	Renal cell carcinoma [2C90]	[18]
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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	Glucosamine inhibits IL-1beta-mediated IL-8 production in prostate cancer cells by MAPK attenuation. J Cell Biochem. 2009 Oct 1;108(2):489-98.
7	2008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.
8	Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
9	Non-surgical treatment of osteoarthritis of large joints - new aspects. Wien Med Wochenschr. 2009;159(3-4):76-86.
10	Gevokizumab, an anti-IL-1beta mAb for the potential treatment of type 1 and 2 diabetes, rheumatoid arthritis and cardiovascular disease. Curr Opin Mol Ther. 2010 Dec;12(6):755-69.
11	Generation and characterization of ABT-981, a dual variable domain immunoglobulin (DVD-Ig(TM)) molecule that specifically and potently neutralizes both IL-1alpha and IL-1beta. MAbs. 2015;7(3):605-19.
12	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
13	Double-blind, randomized study evaluating the glycemic and anti-inflammatory effects of subcutaneous LY2189102, a neutralizing IL-1beta antibody, in patients with type 2 diabetes. Diabetes Care. 2013Aug;36(8):2239-46.
14	A Swell in the Armamentarium of Antiepileptic Drug Targets. Epilepsy Curr. 2011 Nov-Dec; 11(6): 172-176.
15	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2623).
16	Cerner Multum, Inc. "Australian Product Information.".
17	Cerner Multum, Inc. "UK Summary of Product Characteristics.".
18	Product Information. Prograf (tacrolimus). Fujisawa, Deerfield, IL.