NAV

Dolastatin 10

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

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
Similar Structures
Weight
Average: 785.1
Monoisotopic: 784.492105108
Chemical Formula
C42H68N6O6S
Synonyms
Not Available
External IDs
  • NSC-376128
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Dolastatin 10 is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Dolastatin 10 is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Dolastatin 10 is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Dolastatin 10 is combined with Benzyl alcohol.
BupivacaineThe 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
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 Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentExtrahepatic Bile Duct Cancer / Gallbladder Cancer / Liver Cancer1
2CompletedTreatmentLeukemias / Lymphoma1
2CompletedTreatmentOvarian Cancer / Sarcomas1
2CompletedTreatmentPancreatic Cancer1
2CompletedTreatmentProstate Cancer1

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/MSsplash10-052r-0266250900-428624baa303aa33d6fa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fc0-2135957400-37a4159b8e91f9ed62b6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0560-0932260000-30c2a8222f131f20181c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-1912005100-73fd6049081cf24ea42a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pi0-7913542300-cf6c78733e42b21d09f7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0wvr-1135710900-8b021301073ec2a277ff
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-283.3127184
predicted
DarkChem Lite v0.1.0
[M-H]-270.39194
predicted
DeepCCS 1.0 (2019)
[M+H]+272.11563
predicted
DeepCCS 1.0 (2019)
[M+Na]+278.40237
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:53 / Updated at June 12, 2020 16:53