General Information of Drug (ID: DMXZRW0)

Drug Name
DTI-015
Synonyms
Carmustine; carmustine; 154-93-8; 1,3-Bis(2-chloroethyl)-1-nitrosourea; BCNU; Carmustin; Nitrumon; Carmubris; Gliadel; BiCNU; Bi CNU; Carmustinum; Bischlorethylnitrosurea; Bischlorethylnitrosourea; Carmustina; Becenun; Becenum; Bischloroethyl nitrosourea; N,N'-BIS(2-CHLOROETHYL)-N-NITROSOUREA; Bis(2-chloroethyl)nitrosourea; Urea, N,N'-bis(2-chloroethyl)-N-nitroso-; Gliadel Wafer; FDA 0345; Bischloroethylnitrosourea; SRI 1720; 1,3-Bis(2-chloroethyl)nitrosourea; BiCNU (TN); Carmustinum [INN-Latin]; Carmustina [INN-Spanish]; DTI 015; NCI-C04773; SK; BCNU; Injectable carmustine, Direct Therapeutics
Indication
Disease Entry ICD 11 Status REF
Brain cancer 2A00 Approved [1], [2]
Liver cancer 2C12 Approved [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 214.05
Topological Polar Surface Area (xlogp) 1.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [4]
Bioavailability
The bioavailability of drug is 5-28% [5]
Clearance
The drug present in the plasma can be removed from the body at the rate of 78 mL/min/kg [6]
Elimination
0.5% of drug is excreted from urine in the unchanged form [4]
Half-life
The concentration or amount of drug in body reduced by one-half in 15 - 30 minutes [6]
Metabolism
The drug is metabolized via the hepatic [5]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.5498 micromolar/kg/day [7]
Unbound Fraction
The unbound fraction of drug in plasma is 0.23% [6]
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 1.2 L/kg [6]
Water Solubility
The ability of drug to dissolve in water is measured as 3.8 mg/mL [4]
Chemical Identifiers
Formula
C5H9Cl2N3O2
IUPAC Name
1,3-bis(2-chloroethyl)-1-nitrosourea
Canonical SMILES
C(CCl)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
InChIKey
DLGOEMSEDOSKAD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2578
ChEBI ID
CHEBI:3423
CAS Number
154-93-8
DrugBank ID
DB00262
TTD ID
D01OXI
INTEDE ID
DR0278
ACDINA ID
D00918

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Human Deoxyribonucleic acid (hDNA) TTUTN1I NOUNIPROTAC Binder [3]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Glutathione S-transferase alpha-1 (GSTA1) DE4ZHS1 GSTA1_HUMAN Substrate [8]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from DTI-015 (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Remdesivir DMBFZ6L Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Remdesivir. 1D6YCoronavirus Disease 2019 [1D6YCoronavirus Disease 2019] [40]
Thioguanine DM7NKEV Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Thioguanine. Acute myeloid leukaemia [2A60] [41]
Bedaquiline DM3906J Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Bedaquiline. Antimicrobial drug resistance [MG50-MG52] [42]
Roflumilast DMPGHY8 Moderate Additive immunosuppressive effects by the combination of DTI-015 and Roflumilast. Asthma [CA23] [43]
Ofloxacin DM0VQN3 Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Ofloxacin. Bacterial infection [1A00-1C4Z] [44]
Ciprofloxacin XR DM2NLS9 Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Ciprofloxacin XR. Bacterial infection [1A00-1C4Z] [44]
Trovafloxacin DM6AN32 Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Trovafloxacin. Bacterial infection [1A00-1C4Z] [44]
Sparfloxacin DMB4HCT Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Sparfloxacin. Bacterial infection [1A00-1C4Z] [44]
Gemifloxacin DMHT34O Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Gemifloxacin. Bacterial infection [1A00-1C4Z] [44]
Norfloxacin DMIZ6W2 Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Norfloxacin. Bacterial infection [1A00-1C4Z] [44]
ABT-492 DMJFD2I Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by ABT-492. Bacterial infection [1A00-1C4Z] [44]
Levofloxacin DMS60RB Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Levofloxacin. Bacterial infection [1A00-1C4Z] [44]
Lomefloxacin DMVRH9C Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Lomefloxacin. Bacterial infection [1A00-1C4Z] [44]
Pexidartinib DMS2J0Z Major Increased risk of hepatotoxicity by the combination of DTI-015 and Pexidartinib. Bone/articular cartilage neoplasm [2F7B] [45]
Grepafloxacin DMGLX0T Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Grepafloxacin. Bronchitis [CA20] [44]
Cannabidiol DM0659E Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Cannabidiol. Epileptic encephalopathy [8A62] [43]
Digoxin DMQCTIH Moderate Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Digoxin. Heart failure [BD10-BD1Z] [46]
Brentuximab vedotin DMWLC57 Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Brentuximab vedotin. Hodgkin lymphoma [2B30] [47]
Efavirenz DMC0GSJ Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Efavirenz. Human immunodeficiency virus disease [1C60-1C62] [48]
Mipomersen DMGSRN1 Major Increased risk of hepatotoxicity by the combination of DTI-015 and Mipomersen. Hyper-lipoproteinaemia [5C80] [49]
Teriflunomide DMQ2FKJ Major Increased risk of hepatotoxicity by the combination of DTI-015 and Teriflunomide. Hyper-lipoproteinaemia [5C80] [50]
BMS-201038 DMQTAGO Major Increased risk of hepatotoxicity by the combination of DTI-015 and BMS-201038. Hyper-lipoproteinaemia [5C80] [51]
Penbutolol DM4ES8F Minor Increased plasma concentration of DTI-015 and Penbutolol due to competitive binding of plasma proteins. Hypertension [BA00-BA04] [52]
Methotrexate DM2TEOL Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Methotrexate. Leukaemia [2A60-2B33] [43]
Denosumab DMNI0KO Moderate Additive immunosuppressive effects by the combination of DTI-015 and Denosumab. Low bone mass disorder [FB83] [53]
Calaspargase pegol DMQZBXI Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Calaspargase pegol. Malignant haematopoietic neoplasm [2B33] [54]
Idelalisib DM602WT Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Idelalisib. Mature B-cell leukaemia [2A82] [55]
Clofarabine DMCVJ86 Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Clofarabine. Mature B-cell lymphoma [2A85] [56]
Thalidomide DM70BU5 Major Additive thrombogenic effects by the combination of DTI-015 and Thalidomide. Multiple myeloma [2A83] [57]
Tecfidera DM2OVDT Moderate Additive immunosuppressive effects by the combination of DTI-015 and Tecfidera. Multiple sclerosis [8A40] [58]
Siponimod DM2R86O Major Additive immunosuppressive effects by the combination of DTI-015 and Siponimod. Multiple sclerosis [8A40] [40]
Fingolimod DM5JVAN Major Additive immunosuppressive effects by the combination of DTI-015 and Fingolimod. Multiple sclerosis [8A40] [59]
Ocrelizumab DMEZ2KH Moderate Additive immunosuppressive effects by the combination of DTI-015 and Ocrelizumab. Multiple sclerosis [8A40] [60]
Ozanimod DMT6AM2 Major Additive immunosuppressive effects by the combination of DTI-015 and Ozanimod. Multiple sclerosis [8A40] [43]
Omacetaxine mepesuccinate DMPU2WX Moderate Additive myelosuppressive effects by the combination of DTI-015 and Omacetaxine mepesuccinate. Myeloproliferative neoplasm [2A20] [61]
Gatifloxacin DMSL679 Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Gatifloxacin. Respiratory infection [CA07-CA4Z] [44]
Canakinumab DM8HLO5 Moderate Additive immunosuppressive effects by the combination of DTI-015 and Canakinumab. Rheumatoid arthritis [FA20] [62]
Rilonacept DMGLUQS Moderate Additive immunosuppressive effects by the combination of DTI-015 and Rilonacept. Rheumatoid arthritis [FA20] [62]
Golimumab DMHZV7X Major Additive immunosuppressive effects by the combination of DTI-015 and Golimumab. Rheumatoid arthritis [FA20] [63]
Leflunomide DMR8ONJ Major Increased risk of hepatotoxicity by the combination of DTI-015 and Leflunomide. Rheumatoid arthritis [FA20] [50]
Anthrax vaccine DM9GSWY Moderate Antagonize the effect of DTI-015 when combined with Anthrax vaccine. Sepsis [1G40-1G41] [64]
Cyclophosphamide DM4O2Z7 Moderate Decreased metabolism of DTI-015 caused by Cyclophosphamide mediated inhibition of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [65]
Trabectedin DMG3Y89 Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Trabectedin. Solid tumour/cancer [2A00-2F9Z] [43]
Epirubicin DMPDW6T Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Epirubicin. Solid tumour/cancer [2A00-2F9Z] [40]
Cisplatin DMRHGI9 Moderate Decreased metabolism of DTI-015 caused by Cisplatin mediated inhibition of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [65]
Naltrexone DMUL45H Moderate Increased risk of hepatotoxicity by the combination of DTI-015 and Naltrexone. Substance abuse [6C40] [66]
Azathioprine DMMZSXQ Moderate Additive myelosuppressive effects by the combination of DTI-015 and Azathioprine. Transplant rejection [NE84] [40]
Cinoxacin DM4EWNS Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Cinoxacin. Urinary tract infection [GC08] [44]
Enoxacin DMYTE6L Minor Decreased absorption of DTI-015 due to intestinal mucosa variation caused by Enoxacin. Urinary tract infection [GC08] [44]
Ganciclovir DM1MBYQ Moderate Additive myelosuppressive effects by the combination of DTI-015 and Ganciclovir. Virus infection [1A24-1D9Z] [40]
Valganciclovir DMS2IUH Moderate Additive myelosuppressive effects by the combination of DTI-015 and Valganciclovir. Virus infection [1A24-1D9Z] [40]
⏷ Show the Full List of 51 DDI Information of This Drug

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

DIG
DIG Name DIG ID PubChem CID Functional Classification
Ethanol E00023 702 Antimicrobial preservative; Penetration agent; Solvent
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Carmustine 100mg/vial injectable 100mg/vial Injectable Injection
Jump to Detail Pharmaceutical Formulation Page of This Drug

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