Drug Details

General Information of the Drug (ID: DR7548)
Name
Bleomycin
Synonyms
bleomycin; Bleocin; Bleomicin; bleomycin a2; Bleomycine [INN-French]; Bleomycinum [INN-Latin]; Bleomicina [INN-Spanish]; Bleomycins; 11056-06-7; Bleomycin sulfate; Bleomicina; Bleomycine; Bleomycinum; Bleomycin [INN]; CCRIS 2754; HSDB 3208; NDC 0015-3010; Bleomycin [INN:BAN]; BLM; NSC 125066; SCHEMBL21090952; LMPK14000006; DB00290
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Molecular Type
Small molecule
Disease Hodgkin lymphoma [ICD-11: 2B30] Approved [1]
Structure
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2D MOL

3D MOL

ADMET Property
Absorption
The systemic absorption of drug is approximately 45%
Clearance
The drug present in the plasma can be removed from the body at the rate of 1.26 mL/min/kg
Half-life
The concentration or amount of drug in body reduced by one-half in 115 minutes
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 0.3532 micromolar/kg/day
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 0.43 L/kg
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Formula
C55H84N17O21S3+
PubChem CID
5360373
Canonical SMILES
CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O
InChI
1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29?,30?,34-,35-,36-,37?,38?,39?,40?,41-,42?,43?,53?,54?/m0/s1
InChIKey
OYVAGSVQBOHSSS-WXFSZRTFSA-O
CAS Number
CAS 11056-06-7
TTD Drug ID
D06UVD
DrugBank ID
DB00290
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Honokiol      Magnolia officinalis     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Activity POLB  Molecule Info 
Pathway MAP
Down-regulation Activity POLL  Molecule Info 
Pathway MAP
                    In-vitro Model A-549 CVCL_0023 Lung adenocarcinoma Homo sapiens
MCF-7 CVCL_0031 Invasive breast carcinoma Homo sapiens
PANC-1 CVCL_0480 Pancreatic ductal adenocarcinoma Homo sapiens
UACC-903 CVCL_4052 Cutaneous melanoma Homo sapiens
                    Experimental
                    Result(s)		 Honokiol inhibits DNA polymerases Beta and Lambda and increases Bleomycin sensitivity of human cancer cells.
          Vinblastine      Catharanthus roseus     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [3]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Experimental
                    Result(s)		 The combination of vinblastine and bleomycin achieved a high rate of objective responses in a subgroup of elderly and symptomatic patients, without considerable toxicity.
Target and Pathway
Target(s) Human Deoxyribonucleic acid (hDNA)  Molecule Info  [4]
References
Reference 1 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
Reference 2 Honokiol Inhibits DNA Polymerases Beta and Lambda and Increases Bleomycin Sensitivity of Human Cancer Cells. Chem Res Toxicol. 2017 Feb 20;30(2):715-725.
Reference 3 Combination of vinblastine and bleomycin as first line therapy in advanced classic Kaposi's sarcoma. J Eur Acad Dermatol Venereol. 2006 Oct;20(9):1090-4.
Reference 4 Bleomycin and talisomycin sequence-specific strand scission of DNA: a mechanism of double-strand cleavage. Cancer Res. 1982 Jul;42(7):2779-85.
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