NAV

Anecortave

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

Identification

Generic Name
Anecortave
DrugBank Accession Number
DB12081
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 344.451
Monoisotopic: 344.198759382
Chemical Formula
C21H28O4
Synonyms
Not Available
External IDs
  • AL 4940
  • AL-4940
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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.
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interactions in your software
Alendronic acidThe risk or severity of jaw osteonecrosis and anti-angiogenesis can be increased when Anecortave is combined with Alendronic acid.
AmbroxolThe risk or severity of methemoglobinemia can be increased when Anecortave is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Anecortave is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Anecortave is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Anecortave is combined with Benzyl alcohol.
Food Interactions
Not Available

Categories

ATC Codes
S01LA02 — Anecortave
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
show 1 more
Substituents
17-hydroxysteroid / 20-oxosteroid / 21-hydroxysteroid / 3-oxosteroid / Alcohol / Aliphatic homopolycyclic compound / Alpha-hydroxy ketone / Carbonyl group / Cyclic alcohol / Cyclic ketone
show 11 more
Molecular Framework
Aliphatic homopolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
R5Y8O51589
CAS number
10184-70-0
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

References

General References
Not Available
PubChem Compound
7074810
PubChem Substance
347828387
ChemSpider
5428328
ChEMBL
CHEMBL2348782
ZINC
ZINC000003927675
Wikipedia
Anecortave_acetate

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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
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/MSsplash10-054k-0109000000-4fa7a5703b325bba48e0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0009000000-9a2d91a4294aee8e5486
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-056r-0977000000-07eb7ecec30778ec4fa3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-1029000000-dc063f06be3e3010903b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0092000000-e2f53edf66314156b50f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00fr-0930000000-fbda06c2ba6ae1609f69
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-193.6830834
predicted
DarkChem Lite v0.1.0
[M-H]-187.39235
predicted
DeepCCS 1.0 (2019)
[M+H]+194.5348834
predicted
DarkChem Lite v0.1.0
[M+H]+189.78792
predicted
DeepCCS 1.0 (2019)
[M+Na]+193.0275834
predicted
DarkChem Lite v0.1.0
[M+Na]+196.36967
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:19 / Updated at June 12, 2020 16:53