Details of the Drug

General Information of Drug (ID: DM1D8XY)

Drug Name

Dantrolene

Synonyms

Dantrium; Dantroleno; Dantrolenum; DANTROLENE SODIUM; Dantrium Intravenous; Dantrium (TN); Dantrolen (TN); Dantroleno [INN-Spanish]; Dantrolenum [INN-Latin]; F-368; Dantrolene (USAN/INN); Dantrolene [USAN:BAN:INN]; 1-(((5-(4-Nitrophenyl)-2-furanyl)methylene)amino)-2,4-imidazolidinedione; 1-((5-(p-Nitrophenyl)furfurylidene)amino)hydantoin; 1-({(1E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione; 1-({[5-(4-nitrophenyl)furan-2-yl]methylidene}amino)imidazolidine-2,4-dione; 1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione

Indication

Disease Entry	ICD 11	Status	REF
Hyperthermia	MG26	Approved	[1]

Therapeutic Class

Muscle Relaxants

Affected Organisms

Humans and other mammals

ATC Code

M03CA01: Dantrolene

M03CA: Dantrolene and derivatives

M03C: MUSCLE RELAXANTS, DIRECTLY ACTING AGENTS

M03: MUSCLE RELAXANTS

M: MUSCULO-SKELETAL SYSTEM

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

314.25

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
Bioavailability: The bioavailability of drug is 70% []
Clearance: The drug present in the plasma can be removed from the body at the rate of 0.43 mL/min/kg [3]
Elimination: 5% 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 4 - 8 hours [3]
Metabolism: The drug is metabolized via the hepatic []
MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 21.22449 micromolar/kg/day [4]
Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.37 L/kg [3]
Water Solubility: The ability of drug to dissolve in water is measured as 2 mg/mL [2]

Chemical Identifiers

Formula: C14H10N4O5
IUPAC Name: 1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Canonical SMILES: C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+
InChIKey: OZOMQRBLCMDCEG-VIZOYTHASA-N

Cross-matching ID

PubChem CID: 6914273
ChEBI ID: CHEMBL1201288
CAS Number: 7261-97-4
UNII: F64QU97QCR
DrugBank ID: DB01219
TTD ID: D0I8DD
INTEDE ID: DR0411
ACDINA ID: D00166

Drug-Molecule Activity Atlas (DMA)^NEW

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Drug Pharmacogenomic Perturbation (DPP)^NEW

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Drug ADMET Endpoint Profile (DAE)^NEW

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Combinatorial Drugs (CBD)

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Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ryanodine receptor (RYR)	TT9YXM1	NOUNIPROTAC	Modulator	[5]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)_{Main DME}	DE4LYSA	CP3A4_HUMAN	Substrate	[6]

Molecular Interaction Atlas (MIA)

MIA Detail

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Drug-Drug Interaction (DDI) Information of This Drug

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

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Remdesivir	DMBFZ6L	Moderate	Increased risk of hepatotoxicity by the combination of Dantrolene and Remdesivir.	1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019]	[7]
Oliceridine	DM6MDCF	Major	Additive CNS depression effects by the combination of Dantrolene and Oliceridine.	Acute pain [MG31]	[8]
Bedaquiline	DM3906J	Moderate	Increased risk of hepatotoxicity by the combination of Dantrolene and Bedaquiline.	Antimicrobial drug resistance [MG50-MG52]	[9]
Pexidartinib	DMS2J0Z	Major	Increased risk of hepatotoxicity by the combination of Dantrolene and Pexidartinib.	Bone/articular cartilage neoplasm [2F7B]	[10]
Esterified estrogens	DM9KZDO	Major	Increased risk of hepatotoxicity by the combination of Dantrolene and Esterified estrogens.	Breast cancer [2C60-2C6Y]	[11]
Quinestrol	DMJ6H1Z	Major	Increased risk of hepatotoxicity by the combination of Dantrolene and Quinestrol.	Breast cancer [2C60-2C6Y]	[11]
Dihydrocodeine	DMB0FWL	Major	Additive CNS depression effects by the combination of Dantrolene and Dihydrocodeine.	Chronic pain [MG30]	[12]
Mestranol	DMG3F94	Major	Increased risk of hepatotoxicity by the combination of Dantrolene and Mestranol.	Contraceptive management [QA21]	[13]
Esketamine	DMVU687	Moderate	Additive CNS depression effects by the combination of Dantrolene and Esketamine.	Depression [6A70-6A7Z]	[7]
[3H]estrone-3-sulphate	DMGPF0N	Major	Increased risk of hepatotoxicity by the combination of Dantrolene and [3H]estrone-3-sulphate.	Discovery agent [N.A.]	[13]
Cannabidiol	DM0659E	Moderate	Increased risk of hepatotoxicity by the combination of Dantrolene and Cannabidiol.	Epileptic encephalopathy [8A62]	[14]
Brentuximab vedotin	DMWLC57	Moderate	Increased risk of hepatotoxicity by the combination of Dantrolene and Brentuximab vedotin.	Hodgkin lymphoma [2B30]	[15]
Mipomersen	DMGSRN1	Major	Increased risk of hepatotoxicity by the combination of Dantrolene and Mipomersen.	Hyper-lipoproteinaemia [5C80]	[16]
Teriflunomide	DMQ2FKJ	Major	Increased risk of hepatotoxicity by the combination of Dantrolene and Teriflunomide.	Hyper-lipoproteinaemia [5C80]	[17]
BMS-201038	DMQTAGO	Major	Increased risk of hepatotoxicity by the combination of Dantrolene and BMS-201038.	Hyper-lipoproteinaemia [5C80]	[18]
Levamlodipine	DM92S6N	Moderate	Increased risk of hyperkalemia by the combination of Dantrolene and Levamlodipine.	Hypertension [BA00-BA04]	[7]
Calaspargase pegol	DMQZBXI	Moderate	Increased risk of hepatotoxicity by the combination of Dantrolene and Calaspargase pegol.	Malignant haematopoietic neoplasm [2B33]	[19]
Idelalisib	DM602WT	Moderate	Increased risk of hepatotoxicity by the combination of Dantrolene and Idelalisib.	Mature B-cell leukaemia [2A82]	[20]
Allopregnanolone	DMNLHAC	Moderate	Additive CNS depression effects by the combination of Dantrolene and Allopregnanolone.	Mental/behavioural/neurodevelopmental disorder [6E20-6E8Z]	[21]
Lasmiditan	DMXLVDT	Moderate	Additive CNS depression effects by the combination of Dantrolene and Lasmiditan.	Migraine [8A80]	[22]
Flibanserin	DM70DTN	Moderate	Additive CNS depression effects by the combination of Dantrolene and Flibanserin.	Mood disorder [6A60-6E23]	[23]
Levomethadyl Acetate	DM06HG5	Major	Additive CNS depression effects by the combination of Dantrolene and Levomethadyl Acetate.	Opioid use disorder [6C43]	[12]
Trabectedin	DMG3Y89	Moderate	Increased risk of hepatotoxicity by the combination of Dantrolene and Trabectedin.	Solid tumour/cancer [2A00-2F9Z]	[14]


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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Allura red AC dye	E00338	33258	Colorant
FD&C blue no. 1	E00263	19700	Colorant
Quinoline yellow WS	E00309	24671	Colorant
Sunset yellow FCF	E00255	17730	Colorant
Carmellose sodium	E00625	Not Available	Disintegrant
Eisenoxyd	E00585	56841934	Colorant
Ferric hydroxide oxide yellow	E00539	23320441	Colorant
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant
Talc	E00520	16211421	Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent


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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Dantrolene 100 mg capsule	100 mg	Oral Capsule	Oral
Dantrolene 25 mg capsule	25 mg	Oral Capsule	Oral
Dantrolene 50 mg capsule	50 mg	Oral Capsule	Oral

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References

1	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. (Ligand id: 4172).
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	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
6	Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
7	Cerner Multum, Inc. "Australian Product Information.".
8	US Food and Drug Administration "FDA warns about serious risks and death when combining opioid pain or cough medicines with benzodiazepines requires its strongest warning.".
9	Product Information. Sirturo (bedaquiline). Janssen Pharmaceuticals, Titusville, NJ.
10	Product Information. Turalio (pexidartinib). Daiichi Sankyo, Inc., Parsippany, NJ.
11	Product Information. Dantrium (dantrolene). Procter and Gamble Pharmaceutic, Cincinnati, OH.
12	US Food and Drug Administration "FDA warns about serious risks and death when combining opioid pain or cough medicines with benzodiazepines requires its strongest warning.".
13	Fuhr U, Maier-Bruggemann A, Blume H, et al. "Grapefruit juice increases oral nimodipine bioavailability." Int J Clin Pharmacol Ther 36 (1998): 126-32. [PMID: 9562227]
14	Cerner Multum, Inc. "UK Summary of Product Characteristics.".
15	Product Information. Adcetris (brentuximab vedotin). Seattle Genetics Inc, Bothell, WA.
16	Product Information. Kynamro (mipomersen). Genzyme Corporation, Cambridge, MA.
17	Canadian Pharmacists Association.
18	Product Information. Juxtapid (lomitapide). Aegerion Pharmaceuticals Inc, Cambridge, MA.
19	Al-Nawakil C, Willems L, Mauprivez C, et.al "Successful treatment of l-asparaginase-induced severe acute hepatotoxicity using mitochondrial cofactors." Leuk Lymphoma 55 (2014): 1670-4. [PMID: 24090500]
20	Product Information. Zydelig (idelalisib). Gilead Sciences, Foster City, CA.
21	Product Information. Zulresso (brexanolone). Sage Therapeutics, Inc., Cambridge, MA.
22	Product Information. Reyvow (lasmiditan). Lilly, Eli and Company, Indianapolis, IN.
23	Product Information. Addyi (flibanserin). Sprout Pharmaceuticals, Raleigh, NC.