This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Dolastatin 10
- DrugBank Accession Number
- DB12730
- Background
Dolastatin 10 has been used in trials studying the treatment of Sarcoma, Leukemia, Lymphoma, Liver Cancer, and Kidney Cancer, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Dolastatin 10 (DB12730)
- Weight
- Average: 785.1
Monoisotopic: 784.492105108 - Chemical Formula
- C42H68N6O6S
- Synonyms
- Not Available
- External IDs
- NSC-376128
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism ATubulin beta-2A chain inhibitorHumans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAmbroxol The risk or severity of methemoglobinemia can be increased when Dolastatin 10 is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Dolastatin 10 is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Dolastatin 10 is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Dolastatin 10 is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Dolastatin 10 is combined with Bupivacaine. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Peptidomimetics
- Sub Class
- Hybrid peptides
- Direct Parent
- Hybrid peptides
- Alternative Parents
- Dipeptides / Valine and derivatives / N-acyl-alpha amino acids and derivatives / Alpha amino acid amides / Amphetamines and derivatives / N-acylpyrrolidines / N-acyl amines / Thiazoles / Tertiary carboxylic acid amides / Heteroaromatic compounds show 8 more
- Substituents
- Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-dipeptide / Amine / Amino acid or derivatives / Amphetamine or derivatives / Aromatic heteromonocyclic compound / Azacycle / Azole / Benzenoid show 28 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- organic molecular entity (CHEBI:67357)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- EI946JT51X
- CAS number
- 110417-88-4
- InChI Key
- OFDNQWIFNXBECV-VFSYNPLYSA-N
- InChI
- InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32-,33+,35-,36-,37-,38+/m0/s1
- IUPAC Name
- (2S)-2-[(2S)-2-(dimethylamino)-3-methylbutanamido]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-2-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}ethyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
- SMILES
- CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C1=NC=CS1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 9810929
- PubChem Substance
- 347828924
- ChemSpider
- 7986684
- BindingDB
- 50216333
- ChEBI
- 67357
- ChEMBL
- CHEMBL39541
- ZINC
- ZINC000095803508
- PDBe Ligand
- SR6
- PDB Entries
- 7tr3
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Extrahepatic Bile Duct Cancer / Gallbladder Cancer / Liver Cancer 1 somestatus stop reason just information to hide 2 Completed Treatment Leukemias / Lymphoma 1 somestatus stop reason just information to hide 2 Completed Treatment Ovarian Cancer / Sarcomas 1 somestatus stop reason just information to hide 2 Completed Treatment Pancreatic Cancer 1 somestatus stop reason just information to hide 2 Completed Treatment Prostate Cancer 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00127 mg/mL ALOGPS logP 4.81 ALOGPS logP 5.07 Chemaxon logS -5.8 ALOGPS pKa (Strongest Acidic) 12.3 Chemaxon pKa (Strongest Basic) 8.03 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 133.41 Å2 Chemaxon Rotatable Bond Count 21 Chemaxon Refractivity 216.86 m3·mol-1 Chemaxon Polarizability 87.87 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 283.3127184 predictedDarkChem Lite v0.1.0 [M-H]- 270.39194 predictedDeepCCS 1.0 (2019) [M+H]+ 272.11563 predictedDeepCCS 1.0 (2019) [M+Na]+ 278.40237 predictedDeepCCS 1.0 (2019)
Targets
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Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin
- Specific Function
- Gtp binding
- Gene Name
- TUBB2A
- Uniprot ID
- Q13885
- Uniprot Name
- Tubulin beta-2A chain
- Molecular Weight
- 49906.67 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 23:53 / Updated at August 27, 2024 19:16