NAV

SP-420

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

Identification

Generic Name
SP-420
DrugBank Accession Number
DB16069
Background

SP-420 is under investigation in clinical trial NCT03801889 (SP-420 in Subjects With Transfusion-dependent Beta-thalassemia or Other Rare Anemias).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 355.41
Monoisotopic: 355.108958574
Chemical Formula
C16H21NO6S
Synonyms
Not Available
External IDs
  • SP-420
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Pharmacology

Indication

Not Available

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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
WBX54NZ436
CAS number
911714-45-9
InChI Key
YASYAEVZKXPYIZ-MRXNPFEDSA-N
InChI
InChI=1S/C16H21NO6S/c1-16(15(19)20)10-24-14(17-16)12-4-3-11(9-13(12)18)23-8-7-22-6-5-21-2/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,20)/t16-/m1/s1
IUPAC Name
(4S)-2-{2-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl}-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILES
COCCOCCOC1=CC(O)=C(C=C1)C1=N[C@](C)(CS1)C(O)=O

References

General References
Not Available
ChemSpider
24679916
ChEMBL
CHEMBL1092665
ZINC
ZINC000084466381

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentBeta-Thalassemia Major1
2WithdrawnTreatmentBeta-Thalassemia / Iron Overload1
1SuspendedTreatmentIron Overload1
1TerminatedTreatmentBeta-Thalassemia / Iron Overload1

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 Solubility0.172 mg/mLALOGPS
logP1.95ALOGPS
logP2.55Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)3.08Chemaxon
pKa (Strongest Basic)0.53Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area97.58 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity90.64 m3·mol-1Chemaxon
Polarizability37.54 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ac0-4079000000-fdda49237f8bec09c80d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-4091000000-d7058b0111aa69de9efb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uei-1091000000-4a862982858ac427072c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pc0-1090000000-3b2de0cfce80283fcd85
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001c-0930000000-b38a6f6d8aca96a5bc1d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01qj-2590000000-ee6db7e9ea9552feb877
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:04 / Updated at December 20, 2020 03:36