SP-8203

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

Identification

Generic Name
SP-8203
DrugBank Accession Number
DB11670
Background

SP-8203 has been used in trials studying the treatment of Ischemic Stroke.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 534.617
Monoisotopic: 534.259068219
Chemical Formula
C28H34N6O5
Synonyms
Not Available
External IDs
  • J3.046.690J

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Quinazolines
Alternative Parents
Pyrimidones / Benzenoids / Vinylogous amides / Tertiary carboxylic acid amides / Heteroaromatic compounds / Acetamides / Ureas / Lactams / Amino acids and derivatives / Dialkylamines
show 4 more
Substituents
Acetamide / Amine / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Heteroaromatic compound
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
UYE03B60KA
CAS number
1176758-04-5
InChI Key
SJZBPVOSFYUHFV-UHFFFAOYSA-N
InChI
InChI=1S/C28H34N6O5/c1-20(35)32(17-9-19-34-26(37)22-11-3-5-13-24(22)31-28(34)39)16-7-6-14-29-15-8-18-33-25(36)21-10-2-4-12-23(21)30-27(33)38/h2-5,10-13,29H,6-9,14-19H2,1H3,(H,30,38)(H,31,39)
IUPAC Name
N-[3-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propyl]-N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propyl]amino}butyl)acetamide
SMILES
CC(=O)N(CCCCNCCCN1C(=O)NC2=CC=CC=C2C1=O)CCCN1C(=O)NC2=CC=CC=C2C1=O

References

General References
Not Available
PubChem Compound
44229378
PubChem Substance
347828038
ChemSpider
52084775

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentIschemic Stroke2
1CompletedTreatmentIschemic Stroke1

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 Solubility0.0671 mg/mLALOGPS
logP1.78ALOGPS
logP2.33Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)11.16Chemaxon
pKa (Strongest Basic)10.13Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area131.16 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity149.63 m3·mol-1Chemaxon
Polarizability57.42 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
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-0005090000-3d30a3d2bc784d754abf
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0016-0001910000-51a3f913d090fe3d0bf6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ue9-0069020000-0d8b7da88aeeeef89861
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-0103910000-00a9c1837330c56a6d99
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0kyl-1975830000-ca8d44944a03c48a229a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-3439430000-dd472d5c9e36bbbef7a7
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-209.04167
predicted
DeepCCS 1.0 (2019)
[M+H]+211.39967
predicted
DeepCCS 1.0 (2019)
[M+Na]+218.05183
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:38 / Updated at June 12, 2020 16:53