SY-5609

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

Identification

Generic Name
SY-5609
DrugBank Accession Number
DB17099
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 490.471
Monoisotopic: 490.185780968
Chemical Formula
C23H26F3N6OP
Synonyms
  • (S)-7-(dimethylphosphoryl)-3-(2-((6,6-dimethylpiperidin-3-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)-1H-indole-6-carbonitrile
  • 1H-Indole-6-carbonitrile, 7-(dimethylphosphinyl)-3-[2-[[(3S)-6,6-dimethyl-3-piperidinyl]amino]-5-(trifluoromethyl)-4-pyrimidinyl]-
  • SY 5609
  • SY5609

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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
TW6044C3O6
CAS number
2417302-07-7
InChI Key
JDJOUBVVSQDIRC-AWEZNQCLSA-N
InChI
InChI=1S/C23H26F3N6OP/c1-22(2)8-7-14(10-30-22)31-21-29-12-17(23(24,25)26)18(32-21)16-11-28-19-15(16)6-5-13(9-27)20(19)34(3,4)33/h5-6,11-12,14,28,30H,7-8,10H2,1-4H3,(H,29,31,32)/t14-/m0/s1
IUPAC Name
7-(dimethylphosphoryl)-3-(2-{[(3S)-6,6-dimethylpiperidin-3-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl)-1H-indole-6-carbonitrile
SMILES
CC1(C)CC[C@@H](CN1)NC1=NC=C(C(=N1)C1=CNC2=C1C=CC(C#N)=C2P(C)(C)=O)C(F)(F)F

References

General References
Not Available
ChemSpider
114935247

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Solid Tumors / Breast Cancer / Pancreatic Cancer / Small Cell Lung Cancer (SCLC)1
1RecruitingTreatmentMetastatic Colorectal Cancer (CRC)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 Solubility0.0213 mg/mLALOGPS
logP3.64ALOGPS
logP3.11Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)12.28Chemaxon
pKa (Strongest Basic)9.58Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area106.49 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity127.02 m3·mol-1Chemaxon
Polarizability47.84 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 14, 2022 20:48 / Updated at July 18, 2023 22:58