Cordycepin

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

Identification

Name
Cordycepin
Accession Number
DB12156
Type
Small Molecule
Groups
Investigational
Description

Cordycepin has been used in trials studying the treatment of Leukemia.

Structure
Thumb
Synonyms
Not Available
External IDs
NSC-401022 / NSC-63984
Categories
UNII
GZ8VF4M2J8
CAS number
73-03-0
Weight
Average: 251.2419
Monoisotopic: 251.101839307
Chemical Formula
C10H13N5O3
InChI Key
OFEZSBMBBKLLBJ-BAJZRUMYSA-N
InChI
InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1
IUPAC Name
(2R,3R,5S)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILES
[H][C@@]1(CO)C[C@@]([H])(O)[C@@]([H])(O1)N1C=NC2=C(N)N=CN=C12

Pharmacology

Indication
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
DrugInteraction
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Cordycepin.
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Cordycepin.
Amphotericin BThe therapeutic efficacy of Amphotericin B can be decreased when used in combination with Cordycepin.
AmrinoneThe therapeutic efficacy of Cordycepin can be increased when used in combination with Amrinone.
AncestimThe risk or severity of cytotoxicity can be increased when Ancestim is combined with Cordycepin.
AzimilideThe therapeutic efficacy of Cordycepin can be increased when used in combination with Azimilide.
BuspironeThe metabolism of Buspirone can be decreased when combined with Cordycepin.
BusulfanThe serum concentration of Busulfan can be increased when it is combined with Cordycepin.
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Cordycepin.
CisaprideThe serum concentration of Cisapride can be increased when it is combined with Cordycepin.
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C08431
PubChem Compound
6303
PubChem Substance
347828450
ChemSpider
6064
BindingDB
50144950
ChEBI
29014
ChEMBL
CHEMBL305686
HET
3AD
Wikipedia
Cordycepin
PDB Entries
1fa0 / 3b4b / 3b4c / 3onf / 5m5k / 6f3p

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentLeukemias1

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 Solubility11.3 mg/mLALOGPS
logP-0.85ALOGPS
logP-1.4ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)13.53ChemAxon
pKa (Strongest Basic)4.99ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area119.31 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity62.1 m3·mol-1ChemAxon
Polarizability24.15 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 purine 3'-deoxyribonucleosides. These are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 3.
Kingdom
Organic compounds
Super Class
Nucleosides, nucleotides, and analogues
Class
Purine nucleosides
Sub Class
Purine 3'-deoxyribonucleosides
Direct Parent
Purine 3'-deoxyribonucleosides
Alternative Parents
6-aminopurines / Aminopyrimidines and derivatives / N-substituted imidazoles / Imidolactams / Tetrahydrofurans / Heteroaromatic compounds / Secondary alcohols / Oxacyclic compounds / Azacyclic compounds / Primary amines
show 3 more
Substituents
Purine 3'-deoxyribonucleoside / 6-aminopurine / Imidazopyrimidine / Purine / Aminopyrimidine / N-substituted imidazole / Pyrimidine / Imidolactam / Azole / Imidazole
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
adenosines, 3'-deoxyribonucleoside (CHEBI:29014)

Drug created on October 20, 2016 15:29 / Updated on August 02, 2018 06:34