Darovasertib

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

Identification

Generic Name
Darovasertib
DrugBank Accession Number
DB16059
Background

IDE-196 is under investigation in clinical trial NCT03947385 (Study of IDE196 in Patients With Solid Tumors Harboring GNAQ/11 Mutations or PRKC Fusions).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 472.476
Monoisotopic: 472.194691882
Chemical Formula
C22H23F3N8O
Synonyms
Not Available
External IDs
  • IDE-196
  • IDE196
  • LXS-196
  • LXS196

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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
E0YF0M8O09
CAS number
1874276-76-2
InChI Key
XXJXHXJWQSCNPX-UHFFFAOYSA-N
InChI
InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)
IUPAC Name
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
SMILES
CC1(N)CCN(CC1)C1=CC=CN=C1NC(=O)C1=C(N)N=CC(=N1)C1=C(C=CC=N1)C(F)(F)F

References

General References
Not Available
ChemSpider
57617794
BindingDB
251460
ChEMBL
CHEMBL3982723
ZINC
ZINC000584641445
PDBe Ligand
W39
PDB Entries
8uak

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentOcular Melanoma1
2RecruitingTreatmentUveal Melanoma1
2, 3RecruitingTreatmentMetastatic Uveal Melanoma1
1TerminatedTreatmentUveal Melanoma1
1, 2RecruitingTreatmentColorectal Cancer / Cutaneous Melanoma / Metastatic Uveal Melanoma / Other Solid 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 Solubility0.0519 mg/mLALOGPS
logP2.15ALOGPS
logP2.49Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)13.23Chemaxon
pKa (Strongest Basic)10.27Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area135.94 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity122.73 m3·mol-1Chemaxon
Polarizability45.86 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/MSsplash10-0ab9-0000900000-4dd116d683c6067528cb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fl0-1060900000-3081c3797611d9db49ac
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ab9-0050900000-7ef354b69b5328229672
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014j-0190400000-28810d7b946d73059eb8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0kmi-0131900000-a86a8baa0a49729c05f1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-4490000000-4f8d4edc8e9825d02570
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 January 20, 2023 02:13