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
Structure for Darovasertib (DB16059)
- 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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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- ChemSpider
- 57617794
- BindingDB
- 251460
- ChEMBL
- CHEMBL3982723
- ZINC
- ZINC000584641445
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Recruiting Treatment Ocular Melanoma 1 2 Recruiting Treatment Uveal Melanoma 1 2, 3 Recruiting Treatment Metastatic Uveal Melanoma 1 1 Terminated Treatment Uveal Melanoma 1 1, 2 Recruiting Treatment Colorectal Cancer / Cutaneous Melanoma / Metastatic Uveal Melanoma / Other Solid Tumors 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
Property Value Source Water Solubility 0.0519 mg/mL ALOGPS logP 2.15 ALOGPS logP 2.49 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 13.23 Chemaxon pKa (Strongest Basic) 10.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 135.94 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 122.73 m3·mol-1 Chemaxon Polarizability 45.86 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at December 15, 2020 18:03 / Updated at January 20, 2023 02:13