NAV

Docarpamine

Identification

Generic Name
Docarpamine
DrugBank Accession Number
DB18046
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 470.54
Monoisotopic: 470.172287108
Chemical Formula
C21H30N2O8S
Synonyms
  • (-)-(s)-2-acetamido-n-(3,4-dihydroxyphenethyl)-4-(methylthio)butyramide bis(ethyl carbonate) (ester)
  • Docarpamine
  • Tanadopa
External IDs
  • TA-870
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
RPQ57D8S72
CAS number
74639-40-0
InChI Key
ZLVMAMIPILWYHQ-INIZCTEOSA-N
InChI
InChI=1S/C21H30N2O8S/c1-5-28-20(26)30-17-8-7-15(13-18(17)31-21(27)29-6-2)9-11-22-19(25)16(10-12-32-4)23-14(3)24/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1
IUPAC Name
5-{2-[(2S)-2-acetamido-4-(methylsulfanyl)butanamido]ethyl}-2-[(ethoxycarbonyl)oxy]phenyl ethyl carbonate
SMILES
CCOC(=O)OC1=CC=C(CCNC(=O)[C@H](CCSC)NC(C)=O)C=C1OC(=O)OCC

References

General References
Not Available
ChemSpider
64283
ChEBI
31513
ChEMBL
CHEMBL2106351
ZINC
ZINC000003872347

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
logP2.49Chemaxon
pKa (Strongest Acidic)12.33Chemaxon
pKa (Strongest Basic)2.51Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area129.26 Å2Chemaxon
Rotatable Bond Count16Chemaxon
Refractivity118.13 m3·mol-1Chemaxon
Polarizability49.35 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 08, 2023 19:49 / Updated at September 12, 2023 18:33