NAV

INCB-057643

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

Identification

Generic Name
INCB-057643
DrugBank Accession Number
DB16054
Background

INCB-057643 is under investigation in clinical trial NCT02959437 (Azacitidine Combined With Pembrolizumab and Epacadostat in Subjects With Advanced Solid Tumors (ECHO-206)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 415.46
Monoisotopic: 415.120191962
Chemical Formula
C20H21N3O5S
Synonyms
Not Available
External IDs
  • INCB-057643
  • INCB057643
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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
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
87TZD0JEBS
CAS number
1820889-23-3
InChI Key
VZSAMEOETVNDQH-UHFFFAOYSA-N
InChI
InChI=1S/C20H21N3O5S/c1-20(2)19(25)23(4)15-9-11(29(5,26)27)8-13(17(15)28-20)14-10-22(3)18(24)16-12(14)6-7-21-16/h6-10,21H,1-5H3
IUPAC Name
6-methanesulfonyl-2,2,4-trimethyl-8-{6-methyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-4-yl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
SMILES
CN1C=C(C2=C(NC=C2)C1=O)C1=C2OC(C)(C)C(=O)N(C)C2=CC(=C1)S(C)(=O)=O

References

General References
Not Available
ChemSpider
64835195
BindingDB
391587

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentEssential Thrombocythemia (ET) / Myelodysplastic Syndrome / Myelodysplastic/Myeloproliferative Neoplasm Overlap Syndrome / Myelofibrosis / Myeloproliferative Neoplasms (MPNs) / Relapsed or Refractory Primary Myelofibrosis / Secondary Myelofibrosis (Post-Polycythemia Vera Myelofibrosis, Post-Essential Thrombocythemia Myelofibrosis)1
1, 2TerminatedTreatmentAdvanced Malignant Neoplasm / Metastatic Cancer / Solid Tumors1
1, 2TerminatedTreatmentSolid Tumors1

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 Solubility0.17 mg/mLALOGPS
logP1.73ALOGPS
logP0.47Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)12.54Chemaxon
pKa (Strongest Basic)-4.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area99.78 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity117.62 m3·mol-1Chemaxon
Polarizability42.45 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-014i-0001900000-ac768b50b073b7db4672
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dr-0004900000-89d6f5b4f0b89dcb272c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014j-0009700000-fbe8d3ed9a22aa03eba6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0006900000-7a0fba50a94568205910
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0009000000-6101b95c0289d2884160
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-0009000000-08c76da6e810ab10cdb8
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 18:03 / Updated at December 20, 2020 03:35