DT-Web

DB03010 - Epothilone B


Identification
Name Epothilone B
Accession Number DB03010 (EXPT01349)
Type small molecule
Description Epothilone B is a 16-membered macrolide that mimics the biological effects of taxol.
Structure
MOL SDF PDB SMILES InChI
Categories (*)
Molecular Weight 507.683
Groups experimental
Monoisotopic Weight 507.265458739
Pharmacology
Indication Investigated for use/treatment in ovarian cancer, lung cancer, brain cancer, breast cancer, and gastric cancer.
Mechanism of action The principal mechanism of the epothilone class is inhibition of microtubule function. Microtubules are essential to cell division, and epothilones therefore stop cells from properly dividing. Epothilone B possess the same biological effects as taxol both in vitro and in cultured cells. This is because they share the same binding site, as well as binding affinity to the microtubule. Like taxol, epothilone B binds to the ??-tubulin heterodimer subunit. Once bound, the rate of ??-tubulin dissociation decreases, thus stabilizing the microtubules. Furthermore, epothilone B has also been shown to induce tubulin polymerization into microtubules without the presence of GTP. This is caused by formation of microtubule bundles throughout the cytoplasm. Finally, epothilone B also causes cell cycle arrest at the G2-M transition phase, thus leading to cytotoxicity and eventually cell apoptosis.
Absorption Not Available
Protein binding Not Available
Biotransformation Not Available
Route of elimination Not Available
Toxicity Not Available
Affected organisms
  • Humans and other mammals
Interactions
Drug Interactions Not Available
Food Interactions Not Available

Targets


Tubulin alpha-2 chain
Name Tubulin alpha-2 chain
Gene Name TUBA3C
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 1.2221
Tubulin beta chain
Name Tubulin beta chain
Gene Name TUBB
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 0.979
Tubulin beta-1 chain
Name Tubulin beta-1 chain
Gene Name TUBB1
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 0.977
Tubulin beta-2C chain
Name Tubulin beta-2C chain
Gene Name TUBB2C
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 1.108
Tubulin beta-4 chain
Name Tubulin beta-4 chain
Gene Name TUBB4
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 1.207
Tubulin alpha-1 chain
Name Tubulin alpha-1 chain
Gene Name TUBA4A
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 1.0919
Tubulin beta-3 chain
Name Tubulin beta-3 chain
Gene Name TUBB3
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 1.4411
Tubulin alpha-6 chain
Name Tubulin alpha-6 chain
Gene Name TUBA1C
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 1.4596
Tubulin alpha-8 chain
Name Tubulin alpha-8 chain
Gene Name TUBA8
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 1.2129
Tubulin beta-4q chain
Name Tubulin beta-4q chain
Gene Name TUBB4Q
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 1.1951
Tubulin alpha-ubiquitous chain
Name Tubulin alpha-ubiquitous chain
Gene Name TUBA1B
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 1.4609
Tubulin alpha-3 chain
Name Tubulin alpha-3 chain
Gene Name TUBA1A
Pharmacological action unknown
Actions Not Available
References
  • Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. - Pubmed
  • Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. - Pubmed
DTHybrid score 1.3048

Predictions


Id Partner name Gene Name Score
312 Tubulin beta chain TUB2 0.979
5812 Tubulin beta-2B chain TUBB2B 0.3497
4512 Cytochrome P450 3A4 CYP3A4 0.2702
6506 Stathmin-4 STMN4 0.2515
1588 Multidrug resistance protein 1 ABCB1 0.1569
6024 Cytochrome P450 1A1 CYP1A1 0.0877
605 Fumarate reductase flavoprotein subunit frdA 0.0877
2709 Fumarate reductase flavoprotein subunit SO_0970 0.0877
3673 Fumarate reductase flavoprotein subunit fccA 0.0877
4912 Fumarate reductase flavoprotein subunit ifcA 0.0877
6549 Fumarate reductase flavoprotein subunit frdA 0.0877
862 Multidrug resistance-associated protein 1 ABCC1 0.066
817 DNA topoisomerase 2-alpha TOP2A 0.0569
1732 ATP-binding cassette sub-family G member 2 ABCG2 0.0541
6157 Solute carrier organic anion transporter family member 1B3 SLCO1B3 0.0461
4118 Cytochrome P450 3A5 CYP3A5 0.0455
776 Bile salt export pump ABCB11 0.0439
1735 Canalicular multispecific organic anion transporter 1 ABCC2 0.0434
6147 Solute carrier family 22 member 3 SLC22A3 0.0419
6138 Multidrug resistance protein 3 ABCB4 0.0409
4924 Cytochrome P450 2C8 CYP2C8 0.0401
6211 Tubulin epsilon chain TUBE1 0.0398
6212 Tubulin gamma-1 chain TUBG1 0.0398
6210 Tubulin delta chain TUBD1 0.0398
6148 Multidrug resistance-associated protein 7 ABCC10 0.0392
6016 Cytochrome P450 2C19 CYP2C19 0.0365
4200 Cytochrome P450 1A2 CYP1A2 0.0303
4119 Cytochrome P450 2D6 CYP2D6 0.0297
1629 Transcription factor AP-1 JUN 0.0283
1490 Solute carrier organic anion transporter family member 1B1 SLCO1B1 0.0272
5923 Microtubule-associated protein tau MAPT 0.0266
5924 Microtubule-associated protein 4 MAP4 0.0266
6107 Cytochrome P450 3A7 CYP3A7 0.0253
1852 Microtubule-associated protein 2 MAP2 0.0232
6137 Multidrug resistance-associated protein 6 ABCC6 0.0219
1709 Canalicular multispecific organic anion transporter 2 ABCC3 0.0212
273 Apoptosis regulator Bcl-2 BCL2 0.0212
4757 Cytochrome P450 2C9 CYP2C9 0.0173
6030 Cytochrome P450 2B6 CYP2B6 0.0161
6013 Cytochrome P450 2E1 CYP2E1 0.016
6144 Solute carrier family 22 member 2 SLC22A2 0.0155
1898 Cytochrome P450 1B1 CYP1B1 0.013
1284 Nuclear receptor subfamily 1 group I member 2 NR1I2 0.0077
6143 Solute carrier family 22 member 7 SLC22A7 0.0069
3811 Cytochrome P450 19A1 CYP19A1 0.0057
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