Details of the Drug

General Information of Drug (ID: DMMWSUL)

Drug Name

Lomustine

Synonyms

Belustine; CCNU; CINU; Cecenu; CeeNU; Chloroethylcyclohexylnitrosourea; Lomustina; Lomustinum; Bristol Myers Squibb Brand of Lomustine; CCNU [Chloroethyl nitrosoureas]; Cyclohexyl chloroethyl nitrosourea; Lomustine medac Brand; Medac Brand of Lomustine; Rhone Poulenc Rorer Brand of Lomustine; OR5087; RB 1509; SRI 2200; Bristol-Myers Squibb Brand of Lomustine; CeeNU (TN); Lomustina [INN-Spanish]; Lomustinum [INN-Latin]; NPFAPI-06; Rhone-Poulenc Rorer Brand of Lomustine; CeeNU, CCNU, Lomustine; Lomustine (USAN/INN); Lomustine [USAN:BAN:INN]; N-(2-Chloroethyl)-N'-cyclohexyl-N-nitrosourea; (Chloro-2-ethyl)-1-cyclohexyl-3-nitrosourea; (Cloro-2-etil)-1-cicloesil-3-nitrosourea; (Cloro-2-etil)-1-cicloesil-3-nitrosourea [Italian];1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea; 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea [Chloroethyl nitrosoureas]; 1-(2-Chloroethyl)-3-cyclohexylnitrosourea

Indication

Disease Entry	ICD 11	Status	REF
Brain cancer	2A00	Approved	[1]
Central nervous system neoplasm	N.A.	Approved	[2]
Primitive neuroectodermal tumor	N.A.	Approved	[2]
Classic Hodgkin lymphoma	N.A.	Investigative	[2]
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Therapeutic Class

Anticancer Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

233.69

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption: The drug is well and rapidly absorbed from the gastrointestinal tract []
Bioavailability: 99% of drug becomes completely available to its intended biological destination(s) [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 94 minutes [4]
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 15.01927 micromolar/kg/day [5]

Chemical Identifiers

Formula: C9H16ClN3O2
IUPAC Name: 1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea
Canonical SMILES: C1CCC(CC1)NC(=O)N(CCCl)N=O
InChI: InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)
InChIKey: GQYIWUVLTXOXAJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3950
ChEBI ID: CHEBI:6520
CAS Number: 13010-47-4
DrugBank ID: DB01206
TTD ID: D04JPJ
ACDINA ID: D00372

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
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Inhibitor	[6]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Angiotensin-converting enzyme 2 (ACE2)	OTTRZGU7	ACE2_HUMAN	Gene/Protein Processing	[7]
ATP-dependent translocase ABCB1 (ABCB1)	OTEJROBO	MDR1_HUMAN	Gene/Protein Processing	[8]
Cyclin-dependent kinase inhibitor 1 (CDKN1A)	OTQWHCZE	CDN1A_HUMAN	Gene/Protein Processing	[9]
DNA damage-inducible transcript 3 protein (DDIT3)	OTI8YKKE	DDIT3_HUMAN	Gene/Protein Processing	[10]
DNA polymerase eta (POLH)	OTN07WXU	POLH_HUMAN	Gene/Protein Processing	[11]
Methylated-DNA--protein-cysteine methyltransferase (MGMT)	OT40A9WH	MGMT_HUMAN	Drug Response	[12]
Stathmin (STMN1)	OTDJ4RV0	STMN1_HUMAN	Drug Response	[13]
Suppressor of cytokine signaling 1 (SOCS1)	OTWA9KFU	SOCS1_HUMAN	Gene/Protein Processing	[14]

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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 Lomustine (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Remdesivir	DMBFZ6L	Moderate	Increased risk of hepatotoxicity by the combination of Lomustine and Remdesivir.	1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019]	[15]
Bedaquiline	DM3906J	Moderate	Increased risk of hepatotoxicity by the combination of Lomustine and Bedaquiline.	Antimicrobial drug resistance [MG50-MG52]	[16]
Roflumilast	DMPGHY8	Moderate	Additive immunosuppressive effects by the combination of Lomustine and Roflumilast.	Asthma [CA23]	[17]
ABT-492	DMJFD2I	Minor	Decreased absorption of Lomustine due to intestinal mucosa variation caused by ABT-492.	Bacterial infection [1A00-1C4Z]	[18]
Pexidartinib	DMS2J0Z	Major	Increased risk of hepatotoxicity by the combination of Lomustine and Pexidartinib.	Bone/articular cartilage neoplasm [2F7B]	[19]
Cannabidiol	DM0659E	Moderate	Increased risk of hepatotoxicity by the combination of Lomustine and Cannabidiol.	Epileptic encephalopathy [8A62]	[17]
Brentuximab vedotin	DMWLC57	Moderate	Increased risk of hepatotoxicity by the combination of Lomustine and Brentuximab vedotin.	Hodgkin lymphoma [2B30]	[20]
Mipomersen	DMGSRN1	Major	Increased risk of hepatotoxicity by the combination of Lomustine and Mipomersen.	Hyper-lipoproteinaemia [5C80]	[21]
Teriflunomide	DMQ2FKJ	Major	Increased risk of hepatotoxicity by the combination of Lomustine and Teriflunomide.	Hyper-lipoproteinaemia [5C80]	[22]
Denosumab	DMNI0KO	Moderate	Additive myelosuppressive effects by the combination of Lomustine and Denosumab.	Low bone mass disorder [FB83]	[23]
Calaspargase pegol	DMQZBXI	Moderate	Increased risk of hepatotoxicity by the combination of Lomustine and Calaspargase pegol.	Malignant haematopoietic neoplasm [2B33]	[24]
Idelalisib	DM602WT	Moderate	Increased risk of hepatotoxicity by the combination of Lomustine and Idelalisib.	Mature B-cell leukaemia [2A82]	[25]
Tecfidera	DM2OVDT	Moderate	Additive immunosuppressive effects by the combination of Lomustine and Tecfidera.	Multiple sclerosis [8A40]	[26]
Siponimod	DM2R86O	Major	Additive immunosuppressive effects by the combination of Lomustine and Siponimod.	Multiple sclerosis [8A40]	[15]
Fingolimod	DM5JVAN	Major	Additive immunosuppressive effects by the combination of Lomustine and Fingolimod.	Multiple sclerosis [8A40]	[27]
Ocrelizumab	DMEZ2KH	Moderate	Additive immunosuppressive effects by the combination of Lomustine and Ocrelizumab.	Multiple sclerosis [8A40]	[28]
Ozanimod	DMT6AM2	Major	Additive immunosuppressive effects by the combination of Lomustine and Ozanimod.	Multiple sclerosis [8A40]	[17]
Omacetaxine mepesuccinate	DMPU2WX	Moderate	Additive immunosuppressive effects by the combination of Lomustine and Omacetaxine mepesuccinate.	Myeloproliferative neoplasm [2A20]	[29]
Canakinumab	DM8HLO5	Moderate	Additive immunosuppressive effects by the combination of Lomustine and Canakinumab.	Rheumatoid arthritis [FA20]	[30]
Rilonacept	DMGLUQS	Moderate	Additive immunosuppressive effects by the combination of Lomustine and Rilonacept.	Rheumatoid arthritis [FA20]	[30]
Golimumab	DMHZV7X	Major	Additive immunosuppressive effects by the combination of Lomustine and Golimumab.	Rheumatoid arthritis [FA20]	[31]
Anthrax vaccine	DM9GSWY	Moderate	Antagonize the effect of Lomustine when combined with Anthrax vaccine.	Sepsis [1G40-1G41]	[32]
Trabectedin	DMG3Y89	Moderate	Increased risk of hepatotoxicity by the combination of Lomustine and Trabectedin.	Solid tumour/cancer [2A00-2F9Z]	[17]
Valganciclovir	DMS2IUH	Moderate	Additive myelosuppressive effects by the combination of Lomustine and Valganciclovir.	Virus infection [1A24-1D9Z]	[15]
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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Mannitol	E00103	6251	Diluent; Flavoring agent; Lyophilization aid; Plasticizing agent; Tonicity agent
Magnesium stearate	E00208	11177	lubricant
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Lomustine 10 mg capsule	10 mg	Oral Capsule	Oral
Lomustine 100 mg capsule	100 mg	Oral Capsule	Oral
Lomustine 40 mg capsule	40 mg	Oral Capsule	Oral
Lomustine 5 mg capsule	5 mg	Oral Capsule	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

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: 7214).
2	Lomustine FDA Label
3	Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
4	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5	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
6	Synthesis and evaluation of ethylnitrosoureas of substituted naphthalimides as anticancer compounds. Acta Pol Pharm. 2007 Jan-Feb;64(1):27-33.
7	Effect of common medications on the expression of SARS-CoV-2 entry receptors in liver tissue. Arch Toxicol. 2020 Dec;94(12):4037-4041. doi: 10.1007/s00204-020-02869-1. Epub 2020 Aug 17.
8	Enhanced in vitro invasiveness and drug resistance with altered gene expression patterns in a human lung carcinoma cell line after pulse selection with anticancer drugs. Int J Cancer. 2004 Sep 10;111(4):484-93. doi: 10.1002/ijc.20230.
9	Utilization of CDKN1A/p21 gene for class discrimination of DNA damage-induced clastogenicity. Toxicology. 2014 Jan 6;315:8-16. doi: 10.1016/j.tox.2013.10.009. Epub 2013 Nov 6.
10	High-content imaging-based BAC-GFP toxicity pathway reporters to assess chemical adversity liabilities. Arch Toxicol. 2017 Mar;91(3):1367-1383. doi: 10.1007/s00204-016-1781-0. Epub 2016 Jun 29.
11	Translesion polymerase is upregulated by cancer therapeutics and confers anticancer drug resistance. Cancer Res. 2014 Oct 1;74(19):5585-96. doi: 10.1158/0008-5472.CAN-14-0953. Epub 2014 Aug 14.
12	Human osteosarcoma xenografts and their sensitivity to chemotherapy. Pathol Oncol Res. 2004;10(3):133-41. doi: 10.1007/BF03033741. Epub 2004 Sep 25.
13	The 1p-encoded protein stathmin and resistance of malignant gliomas to nitrosoureas. J Natl Cancer Inst. 2007 Apr 18;99(8):639-52. doi: 10.1093/jnci/djk135.
14	Characterization of DNA reactive and non-DNA reactive anticancer drugs by gene expression profiling. Mutat Res. 2007 Jun 1;619(1-2):16-29. doi: 10.1016/j.mrfmmm.2006.12.007. Epub 2007 Feb 8.
15	Cerner Multum, Inc. "Australian Product Information.".
16	Product Information. Sirturo (bedaquiline). Janssen Pharmaceuticals, Titusville, NJ.
17	Cerner Multum, Inc. "UK Summary of Product Characteristics.".
18	Johnson EJ, MacGowan AP, Potter MN, et al "Reduced absorption of oral ciprofloxacin after chemotherapy for haematological malignancy." J Antimicrob Chemother 25 (1990): 837-42. [PMID: 2373666]
19	Product Information. Turalio (pexidartinib). Daiichi Sankyo, Inc., Parsippany, NJ.
20	Product Information. Adcetris (brentuximab vedotin). Seattle Genetics Inc, Bothell, WA.
21	Product Information. Kynamro (mipomersen). Genzyme Corporation, Cambridge, MA.
22	Product Information. Arava (leflunomide). Hoechst Marion-Roussel Inc, Kansas City, MO.
23	Product Information. Prolia (denosumab). Amgen USA, Thousand Oaks, CA.
24	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]
25	Product Information. Zydelig (idelalisib). Gilead Sciences, Foster City, CA.
26	Product Information. Vumerity (diroximel fumarate). Alkermes, Inc, Cambridge, MA.
27	Product Information. Gilenya (fingolimod). Novartis Pharmaceuticals, East Hanover, NJ.
28	Product Information. Ocrevus (ocrelizumab). Genentech, South San Francisco, CA.
29	Product Information. Synribo (omacetaxine). Teva Pharmaceuticals USA, North Wales, PA.
30	Product Information. Arcalyst (rilonacept). Regeneron Pharmaceuticals Inc, Tarrytown, NY.
31	Product Information. Cimzia (certolizumab). UCB Pharma Inc, Smyrna, GA.
32	CDC. Centers for Disease Control and Prevention/ "Recommendations of the advisory committtee on immunization practices (ACIP): use of vaccines and immune globulins in persons with altered immunocompetence." MMWR Morb Mortal Wkly Rep 42(RR-04) (1993): 1-18. [PMID: 20300058]