Details of the Drug

General Information of Drug (ID: DMIZKOP)

Drug Name

Thiotepa

Synonyms

thiotepa; THIO-TEPA; 52-24-4; Triethylenethiophosphoramide; Thiophosphamide; Tiofosyl; Tiofosfamid; Thiofozil; Tiofozil; Thioplex; Tespamin; Oncotepa; Tespamine; Girostan; Thiotef; Stepa; Tio-tef; Thio-Tep; Oncotiotepa; Tifosyl; Oncothio-tepa; TESPA; TSPA; Thio-tepa S; Ledertepa; Thiotriethylenephosphoramide; TIO TEF; N,N',N''-Triethylenethiophosphoramide; Tris(1-aziridinyl)phosphine sulfide; Thiophosphamidum; 1,1',1''-phosphorothioyltriaziridine; Triethylene thiophosphoramide; Triaziridinylphosphine sulfide

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Approved	[1], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

189.22

Topological Polar Surface Area (xlogp)

0.5

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 [3]
Clearance: The drug present in the plasma can be removed from the body at the rate of 6.7 mL/min/kg [4]
Half-life: The concentration or amount of drug in body reduced by one-half in 1.5 - 4.1 hours [4]
Unbound Fraction: The unbound fraction of drug in plasma is 0.9% [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 1.6 L/kg [4]

Chemical Identifiers

Formula: C6H12N3PS
IUPAC Name: tris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane
Canonical SMILES: C1CN1P(=S)(N2CC2)N3CC3
InChI: InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2
InChIKey: FOCVUCIESVLUNU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5453
ChEBI ID: CHEBI:9570
CAS Number: 52-24-4
DrugBank ID: DB04572
TTD ID: D00YZA
VARIDT ID: DR00862
INTEDE ID: DR1583
ACDINA ID: D01482

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[5]
Glutathione S-transferase alpha-1 (GSTA1)	DE4ZHS1	GSTA1_HUMAN	Substrate	[6]

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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 Thiotepa (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
ABT-492	DMJFD2I	Minor	Decreased absorption of Thiotepa due to intestinal mucosa variation caused by ABT-492.	Bacterial infection [1A00-1C4Z]	[26]
Teriflunomide	DMQ2FKJ	Major	Additive immunosuppressive effects by the combination of Thiotepa and Teriflunomide.	Hyper-lipoproteinaemia [5C80]	[27]
Denosumab	DMNI0KO	Moderate	Additive myelosuppressive effects by the combination of Thiotepa and Denosumab.	Low bone mass disorder [FB83]	[28]
Tecfidera	DM2OVDT	Moderate	Additive immunosuppressive effects by the combination of Thiotepa and Tecfidera.	Multiple sclerosis [8A40]	[29]
Siponimod	DM2R86O	Major	Additive immunosuppressive effects by the combination of Thiotepa and Siponimod.	Multiple sclerosis [8A40]	[30]
Fingolimod	DM5JVAN	Major	Additive immunosuppressive effects by the combination of Thiotepa and Fingolimod.	Multiple sclerosis [8A40]	[31]
Ocrelizumab	DMEZ2KH	Moderate	Additive immunosuppressive effects by the combination of Thiotepa and Ocrelizumab.	Multiple sclerosis [8A40]	[32]
Ozanimod	DMT6AM2	Major	Additive immunosuppressive effects by the combination of Thiotepa and Ozanimod.	Multiple sclerosis [8A40]	[33]
Omacetaxine mepesuccinate	DMPU2WX	Moderate	Additive immunosuppressive effects by the combination of Thiotepa and Omacetaxine mepesuccinate.	Myeloproliferative neoplasm [2A20]	[34]
Abametapir	DM2RX0I	Moderate	Decreased metabolism of Thiotepa caused by Abametapir mediated inhibition of CYP450 enzyme.	Pediculosis [1G00]	[35]
Lefamulin	DME6G97	Moderate	Decreased metabolism of Thiotepa caused by Lefamulin mediated inhibition of CYP450 enzyme.	Pneumonia [CA40]	[36]
Canakinumab	DM8HLO5	Moderate	Additive immunosuppressive effects by the combination of Thiotepa and Canakinumab.	Rheumatoid arthritis [FA20]	[37]
Rilonacept	DMGLUQS	Moderate	Additive immunosuppressive effects by the combination of Thiotepa and Rilonacept.	Rheumatoid arthritis [FA20]	[37]
Golimumab	DMHZV7X	Major	Additive immunosuppressive effects by the combination of Thiotepa and Golimumab.	Rheumatoid arthritis [FA20]	[38]
Anthrax vaccine	DM9GSWY	Moderate	Antagonize the effect of Thiotepa when combined with Anthrax vaccine.	Sepsis [1G40-1G41]	[39]
Telotristat ethyl	DMDIYFZ	Moderate	Increased metabolism of Thiotepa caused by Telotristat ethyl mediated induction of CYP450 enzyme.	Small intestine developmental anomaly [DA90]	[33]
Larotrectinib	DM26CQR	Moderate	Decreased metabolism of Thiotepa caused by Larotrectinib mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[30]
LEE011	DMMX75K	Moderate	Decreased metabolism of Thiotepa caused by LEE011 mediated inhibition of CYP450 enzyme.	Solid tumour/cancer [2A00-2F9Z]	[40]
Fostamatinib	DM6AUHV	Moderate	Decreased metabolism of Thiotepa caused by Fostamatinib mediated inhibition of CYP450 enzyme.	Thrombocytopenia [3B64]	[41]
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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Water	E00035	962	Solvent
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Thiotepa 15mg lyophilized powder	15mg	Lyophilized Powder	Intravenous

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

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27	Product Information. Arava (leflunomide). Hoechst Marion-Roussel Inc, Kansas City, MO.
28	Product Information. Prolia (denosumab). Amgen USA, Thousand Oaks, CA.
29	Product Information. Vumerity (diroximel fumarate). Alkermes, Inc, Cambridge, MA.
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31	Product Information. Gilenya (fingolimod). Novartis Pharmaceuticals, East Hanover, NJ.
32	Product Information. Ocrevus (ocrelizumab). Genentech, South San Francisco, CA.
33	Cerner Multum, Inc. "UK Summary of Product Characteristics.".
34	Product Information. Synribo (omacetaxine). Teva Pharmaceuticals USA, North Wales, PA.
35	Product Information. Xeglyze (abametapir topical). Dr. Reddy's Laboratories Inc, Upper Saddle River, NJ.
36	Product Information. Fycompa (perampanel). Eisai Inc, Teaneck, NJ.
37	Product Information. Arcalyst (rilonacept). Regeneron Pharmaceuticals Inc, Tarrytown, NY.
38	Product Information. Cimzia (certolizumab). UCB Pharma Inc, Smyrna, GA.
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41	Product Information. Tavalisse (fostamatinib). Rigel Pharmaceuticals, South San Francisco, CA.