NAV

Zotatifin

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

Identification

Generic Name
Zotatifin
DrugBank Accession Number
DB16408
Background

Zotatifin is under investigation in clinical trial NCT04092673 (Study of Eft226 in Subjects With Selected Advanced Solid Tumor Malignancies).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 487.556
Monoisotopic: 487.210721046
Chemical Formula
C28H29N3O5
Synonyms
  • Zotatifin
External IDs
  • EFT-226
  • eFT226
  • WHO 10998
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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
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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
2EWN8Z05CN
CAS number
2098191-53-6
InChI Key
QYCXWOACFWMQFO-WZWZCULESA-N
InChI
InChI=1S/C28H29N3O5/c1-31(2)16-20-23(18-8-6-5-7-9-18)28(19-12-10-17(15-29)11-13-19)27(33,25(20)32)24-21(36-28)14-22(34-3)30-26(24)35-4/h5-14,20,23,25,32-33H,16H2,1-4H3/t20-,23-,25-,27+,28+/m1/s1
IUPAC Name
4-[(2S,3R,4S,5S,6R)-4-[(dimethylamino)methyl]-2,3-dihydroxy-10,12-dimethoxy-5-phenyl-7-oxa-11-azatricyclo[6.4.0.0^{2,6}]dodeca-1(12),8,10-trien-6-yl]benzonitrile
SMILES
COC1=NC(OC)=C2C(O[C@]3([C@@H]([C@@H](CN(C)C)[C@@H](O)[C@@]23O)C2=CC=CC=C2)C2=CC=C(C=C2)C#N)=C1

References

General References
Not Available
ChemSpider
81367611

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentBreast Cancer / Estrogen Receptor Positive Breast Cancer / Human Epidermal Growth Factor 2 Negative Carcinoma of Breast1
1CompletedTreatmentCoronavirus Disease 2019 (COVID‑19) / Infections, Coronavirus1
1, 2RecruitingTreatmentAdult Solid Tumor1

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 Solubility0.0364 mg/mLALOGPS
logP2.76ALOGPS
logP3.03Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)11.45Chemaxon
pKa (Strongest Basic)8.97Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area108.07 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity134.32 m3·mol-1Chemaxon
Polarizability51.73 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-000i-0000900000-d63a7086213f5e66eb1c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0000900000-72997deedb72b758496f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0001900000-aef083156f969fc40095
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-009i-0002900000-2a463e0317fa8befd17f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kv-4001900000-c68611f684aa41c2e194
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0592-2209400000-68d0effd19abaf58924a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 23, 2020 16:51 / Updated at February 21, 2021 18:55