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

Identification

Generic Name
E-6201
DrugBank Accession Number
DB11687
Background

E6201 has been investigated for the treatment of Chronic Plaque Psoriasis.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 389.448
Monoisotopic: 389.183837593
Chemical Formula
C21H27NO6
Synonyms
Not Available
External IDs
  • E6201
  • ER-806201

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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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With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Macrolides and analogues
Sub Class
Not Available
Direct Parent
Macrolides and analogues
Alternative Parents
Secondary alkylarylamines / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Vinylogous acids / Secondary alcohols / Lactones / Cyclic ketones / Carboxylic acid esters / Amino acids and derivatives / 1,2-diols
show 3 more
Substituents
1,2-diol / 1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Alcohol / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Benzenoid / Carbonyl group / Carboxylic acid derivative
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
CZP9GB25HO
CAS number
603987-35-5
InChI Key
MWUFVYLAWAXDHQ-HMNLTAHHSA-N
InChI
InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1
IUPAC Name
(3S,4R,8S,9S)-14-(ethylamino)-8,9,16-trihydroxy-3,4-dimethyl-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7-dione
SMILES
CCNC1=CC2=C(C(O)=C1)C(=O)O[C@@H](C)[C@H](C)\C=C/C(=O)[C@@H](O)[C@@H](O)C\C=C\2

References

General References
Not Available
PubChem Compound
10172827
PubChem Substance
347828053
ChemSpider
8348332
ChEMBL
CHEMBL1097999
ZINC
ZINC000034374629
PDBe Ligand
E26
PDB Entries
6i1s

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Plaque Psoriasis1
2CompletedTreatmentPsoriasis Vulgaris (Plaque Psoriasis)1
1RecruitingTreatmentMelanoma, Malignant / Tumors Metastatic to Brain1
1Unknown StatusTreatmentSolid Tumors, Advanced Solid Tumors1
1, 2TerminatedTreatmentAcute Myeloid Leukemia (AML) / CMML / MDS1

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 Solubility0.43 mg/mLALOGPS
logP3.09ALOGPS
logP2.92ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)9.86ChemAxon
pKa (Strongest Basic)2.98ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area116.09 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity109.72 m3·mol-1ChemAxon
Polarizability41.34 Å3ChemAxon
Number of Rings2ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Drug created at October 20, 2016 20:40 / Updated at June 12, 2020 16:53