NAV

Cortivazol

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

Identification

Generic Name
Cortivazol
DrugBank Accession Number
DB13003
Background

Cortivazol is under investigation in clinical trial NCT00804895 (Cluster Headache Cortivazol Injection (CHCI)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 530.665
Monoisotopic: 530.278072332
Chemical Formula
C32H38N2O5
Synonyms
  • Cortivazol
External IDs
  • NSC-80998
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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
TargetActionsOrganism
UGlucocorticoid receptorNot AvailableHumans
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
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.
DrugInteraction
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interactions in your software
AbataceptThe risk or severity of adverse effects can be increased when Abatacept is combined with Cortivazol.
AbemaciclibThe metabolism of Abemaciclib can be increased when combined with Cortivazol.
AcalabrutinibThe metabolism of Acalabrutinib can be increased when combined with Cortivazol.
AcarboseThe risk or severity of hyperglycemia can be increased when Cortivazol is combined with Acarbose.
AceclofenacThe risk or severity of gastrointestinal irritation can be increased when Cortivazol is combined with Aceclofenac.
Food Interactions
Not Available

Categories

ATC Codes
H02AB17 — Cortivazol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pregnane steroids. These are steroids with a structure based on the 21-carbon pregnane skeleton.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Pregnane steroids
Direct Parent
Pregnane steroids
Alternative Parents
20-oxosteroids / 11-beta-hydroxysteroids / 17-hydroxysteroids / Phenylpyrazoles / Alpha-acyloxy ketones / Benzene and substituted derivatives / Tertiary alcohols / Alpha-hydroxy ketones / Heteroaromatic compounds / Cyclic alcohols and derivatives
show 8 more
Substituents
11-beta-hydroxysteroid / 11-hydroxysteroid / 17-hydroxysteroid / 20-oxosteroid / Alcohol / Alpha-acyloxy ketone / Alpha-hydroxy ketone / Aromatic heteropolycyclic compound / Azacycle / Azole
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
YM183K0H63
CAS number
1110-40-3
InChI Key
RKHQGWMMUURILY-UHRZLXHJSA-N
InChI
InChI=1S/C32H38N2O5/c1-18-11-23-25-12-19(2)32(38,28(37)17-39-20(3)35)31(25,5)15-27(36)29(23)30(4)14-21-16-33-34(26(21)13-24(18)30)22-9-7-6-8-10-22/h6-11,13,16,19,23,25,27,29,36,38H,12,14-15,17H2,1-5H3/t19-,23+,25+,27+,29-,30+,31+,32+/m1/s1
IUPAC Name
2-[(1S,2R,13S,14S,16R,17R,18S,20S)-17,20-dihydroxy-2,11,16,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5,9,11-tetraen-17-yl]-2-oxoethyl acetate
SMILES
C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=CC5=C(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)C=NN5C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
66249
PubChem Substance
347829140
ChemSpider
59633
RxNav
21660
ChEBI
135820
ChEMBL
CHEMBL2105842
ZINC
ZINC000004215466
Wikipedia
Cortivazol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2, 3CompletedTreatmentCluster Headache1
Not AvailableCompletedSupportive CarePlantar Fascitis1

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 Solubility0.0033 mg/mLALOGPS
logP3.48ALOGPS
logP3.63Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)12.47Chemaxon
pKa (Strongest Basic)2.05Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area101.65 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity149.98 m3·mol-1Chemaxon
Polarizability59.8 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0udi-0000930000-9ab7afd28dbf31090106
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-7000900000-bccc596ce14aa4b3b596
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-020r-0074940000-ac0ce6cc66ea8df8f435
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0kdi-1000900000-b20ac6e1fedd427c8f1c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-056u-1000910000-d3657924ce391e2691d1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pe9-0496220000-9d9ad154fc789d9b316e
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-250.2405528
predicted
DarkChem Lite v0.1.0
[M-H]-239.44792
predicted
DeepCCS 1.0 (2019)
[M+H]+250.4287528
predicted
DarkChem Lite v0.1.0
[M+H]+241.34335
predicted
DeepCCS 1.0 (2019)
[M+Na]+250.2106528
predicted
DarkChem Lite v0.1.0
[M+Na]+247.36539
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Glucocorticoid receptor
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Zinc ion binding
Specific Function
Receptor for glucocorticoids (GC). Has a dual mode of action: as a transcription factor that binds to glucocorticoid response elements (GRE), both for nuclear and mitochondrial DNA, and as a modula...
Gene Name
NR3C1
Uniprot ID
P04150
Uniprot Name
Glucocorticoid receptor
Molecular Weight
85658.57 Da
References
  1. Yoshikawa N, Yamamoto K, Shimizu N, Yamada S, Morimoto C, Tanaka H: The distinct agonistic properties of the phenylpyrazolosteroid cortivazol reveal interdomain communication within the glucocorticoid receptor. Mol Endocrinol. 2005 May;19(5):1110-24. Epub 2005 Jan 27. [Article]

Enzymes

Details1. Cytochrome P450 3A4
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inducer
General Function
Vitamin d3 25-hydroxylase activity
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation react...
Gene Name
CYP3A4
Uniprot ID
P08684
Uniprot Name
Cytochrome P450 3A4
Molecular Weight
57342.67 Da
References
  1. Dvorak Z, Pavek P: Regulation of drug-metabolizing cytochrome P450 enzymes by glucocorticoids. Drug Metab Rev. 2010 Nov;42(4):621-35. doi: 10.3109/03602532.2010.484462. [Article]
Details2. Cytochrome P450 3A5
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inducer
General Function
Oxygen binding
Specific Function
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally un...
Gene Name
CYP3A5
Uniprot ID
P20815
Uniprot Name
Cytochrome P450 3A5
Molecular Weight
57108.065 Da
References
  1. Dvorak Z, Pavek P: Regulation of drug-metabolizing cytochrome P450 enzymes by glucocorticoids. Drug Metab Rev. 2010 Nov;42(4):621-35. doi: 10.3109/03602532.2010.484462. [Article]

Drug created at October 21, 2016 01:59 / Updated at February 21, 2021 18:54