Dolastatin 10

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Dolastatin 10
Accession Number
DB12730
Type
Small Molecule
Groups
Investigational
Description

Dolastatin 10 has been used in trials studying the treatment of Sarcoma, Leukemia, Lymphoma, Liver Cancer, and Kidney Cancer, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
NSC-376128
Categories
UNII
EI946JT51X
CAS number
110417-88-4
Weight
Average: 785.1
Monoisotopic: 784.492105108
Chemical Formula
C42H68N6O6S
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[[email protected]](C)[[email protected]@H]([[email protected]@H](CC(=O)N1CCC[[email protected]]1[[email protected]](OC)[[email protected]@H](C)C(=O)N[[email protected]@H](CC1=CC=CC=C1)C1=NC=CS1)OC)N(C)C(=O)[[email protected]@H](NC(=O)[[email protected]](C(C)C)N(C)C)C(C)C

Pharmacology

Indication
Not Available
Structured Indications
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Dolastatin 10.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Dolastatin 10.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Dolastatin 10.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Dolastatin 10.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Dolastatin 10.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Dolastatin 10.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Dolastatin 10.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Dolastatin 10.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Dolastatin 10.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Dolastatin 10.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Dolastatin 10.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Dolastatin 10.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Dolastatin 10.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Dolastatin 10.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Dolastatin 10.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Dolastatin 10.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Dolastatin 10.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Dolastatin 10.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Dolastatin 10.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Dolastatin 10.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9810929
PubChem Substance
347828924
ChemSpider
7986684
ChEBI
67357
ChEMBL
CHEMBL39541

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentLeukemias / Myelodysplastic Syndromes1
2CompletedTreatmentCancer, Ovarian / Sarcomas1
2CompletedTreatmentExtrahepatic Bile Duct Cancer / Gallbladder Cancer / Liver Cancer1
2CompletedTreatmentLeukemias / Malignant Lymphomas1
2CompletedTreatmentMalignant Neoplasm of Pancreas1
2CompletedTreatmentProstate Cancer1
2CompletedTreatmentRenal Cancers1

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
PropertyValueSource
Water Solubility0.00127 mg/mLALOGPS
logP4.81ALOGPS
logP5.07ChemAxon
logS-5.8ALOGPS
pKa (Strongest Acidic)12.3ChemAxon
pKa (Strongest Basic)8.03ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area133.41 Å2ChemAxon
Rotatable Bond Count21ChemAxon
Refractivity216.86 m3·mol-1ChemAxon
Polarizability87.87 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Hybrid peptide / Alpha-dipeptide / Valine or derivatives / N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / Alpha-amino acid or derivatives / Amphetamine or derivatives / N-acylpyrrolidine / Monocyclic benzene moiety / Fatty amide
show 28 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
organic molecular entity (CHEBI:67357)

Drug created on October 20, 2016 17:53 / Updated on November 09, 2017 05:12