NAV

Cepharanthine

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

Identification

Generic Name
Cepharanthine
DrugBank Accession Number
DB16824
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 606.719
Monoisotopic: 606.272986952
Chemical Formula
C37H38N2O6
Synonyms
  • Cepharanthin
  • Cepharanthine
External IDs
  • BRN 0075231
  • CCRIS 6539
  • NSC-623442
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
7592YJ0J6T
CAS number
481-49-2
InChI Key
YVPXVXANRNDGTA-WDYNHAJCSA-N
InChI
InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1
IUPAC Name
(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2^{16,19}.1^{3,10}.1^{21,25}.0^{4,8}.0^{31,35}.0^{14,39}]nonatriaconta-1(34),3,8,10(39),16,18,21,23,25(36),31(35),32,37-dodecaene
SMILES
[H][C@@]12CC3=CC(OC4=CC=C(C[C@]5([H])N(C)CCC6=C5C(OC5=CC1=C(CCN2C)C=C5OC)=C1OCOC1=C6)C=C4)=C(OC)C=C3

References

General References
Not Available
KEGG Compound
C09391
ChemSpider
9791
BindingDB
50423643
ChEBI
3546
ChEMBL
CHEMBL449782
ZINC
ZINC000030726863
Wikipedia
Cepharanthine

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAsymptomatic COVID-19 / Coronavirus Disease 2019 (COVID‑19)1

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 Solubility0.00483 mg/mLALOGPS
logP5.31ALOGPS
logP6.42Chemaxon
logS-5.1ALOGPS
pKa (Strongest Basic)8.14Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area61.86 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity172.96 m3·mol-1Chemaxon
Polarizability66 Å3Chemaxon
Number of Rings8Chemaxon
Bioavailability0Chemaxon
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/MSsplash10-0a4i-0000009000-96a2afd2899b72d46ce5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0000019000-2312e63233695c3cb28d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-0000059000-283b0284f645c57e09bd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0000079000-b9a38eba7778a79b96b6
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01tc-0000090000-4ecf07fe454f037ce8c3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001a-0000090000-b711dd16f547ddd88956
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-241.6101625
predicted
DarkChem Lite v0.1.0
[M-H]-249.8468625
predicted
DarkChem Lite v0.1.0
[M-H]-240.7559
predicted
DeepCCS 1.0 (2019)
[M+H]+241.2861625
predicted
DarkChem Lite v0.1.0
[M+H]+250.5386625
predicted
DarkChem Lite v0.1.0
[M+H]+242.58078
predicted
DeepCCS 1.0 (2019)
[M+Na]+241.3841625
predicted
DarkChem Lite v0.1.0
[M+Na]+250.4993625
predicted
DarkChem Lite v0.1.0
[M+Na]+248.1866
predicted
DeepCCS 1.0 (2019)

Drug created at July 15, 2022 15:59 / Updated at December 01, 2022 11:30