Anecortave

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

Identification

Name
Anecortave
Accession Number
DB12081
Type
Small Molecule
Groups
Investigational
Description

Anecortave is under investigation in clinical trial NCT00691717 (Anecortave Acetate Safety in Patients With Open-Angle Glaucoma or Ocular Hypertension).

Structure
Thumb
Synonyms
Not Available
External IDs
AL 4940 / AL-4940
Categories
UNII
R5Y8O51589
CAS number
10184-70-0
Weight
Average: 344.451
Monoisotopic: 344.198759382
Chemical Formula
C21H28O4
InChI Key
BCFCRXOJOFDUMZ-ONKRVSLGSA-N
InChI
InChI=1S/C21H28O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h6,11,15,17,22,25H,3-5,7-10,12H2,1-2H3/t15-,17+,19+,20+,21+/m1/s1
IUPAC Name
(2S,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),6-dien-5-one
SMILES
C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO

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
(4R)-limoneneThe risk or severity of adverse effects can be increased when (4R)-limonene is combined with Anecortave.
1,10-PhenanthrolineThe risk or severity of adverse effects can be increased when Anecortave is combined with 1,10-Phenanthroline.
AceclofenacThe risk or severity of adverse effects can be increased when Aceclofenac is combined with Anecortave.
AcemetacinThe risk or severity of adverse effects can be increased when Acemetacin is combined with Anecortave.
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Anecortave.
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Anecortave.
AlclofenacThe risk or severity of adverse effects can be increased when Alclofenac is combined with Anecortave.
Alendronic acidThe risk or severity of jaw osteonecrosis and anti-angiogenesis can be increased when Anecortave is combined with Alendronic acid.
AlmasilateThe bioavailability of Anecortave can be decreased when combined with Almasilate.
AlminoprofenThe risk or severity of adverse effects can be increased when Alminoprofen is combined with Anecortave.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
7074810
PubChem Substance
347828387
ChemSpider
5428328
ChEMBL
CHEMBL2348782
Wikipedia
Anecortave_acetate
ATC Codes
S01LA02 — Anecortave

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.0334 mg/mLALOGPS
logP2.98ALOGPS
logP2.18ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)12.58ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area74.6 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity96.66 m3·mol-1ChemAxon
Polarizability38.24 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Hydroxysteroids
Direct Parent
21-hydroxysteroids
Alternative Parents
Gluco/mineralocorticoids, progestogins and derivatives / 20-oxosteroids / 3-oxosteroids / 17-hydroxysteroids / Cyclohexenones / Tertiary alcohols / Alpha-hydroxy ketones / Cyclic alcohols and derivatives / Primary alcohols / Organic oxides
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Substituents
Progestogin-skeleton / 21-hydroxysteroid / Pregnane-skeleton / 20-oxosteroid / 3-oxosteroid / 17-hydroxysteroid / Oxosteroid / Cyclohexenone / Alpha-hydroxy ketone / Cyclic alcohol
show 11 more
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:19 / Updated on October 01, 2018 15:09