NAV

Rineterkib

Identification

Generic Name
Rineterkib
DrugBank Accession Number
DB17560
Background

Rineterkib is an inhibitor of extracellular signal-regulated kinase (ERK) being investigated in NCT04097821 (A Randomized, Open-label, Phase I/II Open Platform Study Evaluating Safety and Efficacy of Novel Ruxolitinib Combinations in Myelofibrosis Patients).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 578.434
Monoisotopic: 577.130023
Chemical Formula
C26H27BrF3N5O2
Synonyms
  • 4-(3-amino-6-((1s,3s,4s)-3-fluoro-4-hydroxycyclohexyl)-2-pyrazinyl)-n-((1s)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl)-2-fluorobenzamide
  • Benzamide, 4-(3-amino-6-((1s,3s,4s)-3-fluoro-4-hydroxycyclohexyl)-2-pyrazinyl)-n-((1s)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl)-2-fluoro-
  • Rineterkib
External IDs
  • LTT 462
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
15KFN616FK
CAS number
1715025-32-3
InChI Key
YFCIFWOJYYFDQP-PTWZRHHISA-N
InChI
InChI=1S/C26H27BrF3N5O2/c1-32-11-21(15-6-16(27)10-17(28)7-15)35-26(37)18-4-2-14(9-19(18)29)24-25(31)33-12-22(34-24)13-3-5-23(36)20(30)8-13/h2,4,6-7,9-10,12-13,20-21,23,32,36H,3,5,8,11H2,1H3,(H2,31,33)(H,35,37)/t13-,20-,21+,23-/m0/s1
IUPAC Name
4-{3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl}-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]-2-fluorobenzamide
SMILES
CNC[C@@H](NC(=O)C1=CC=C(C=C1F)C1=NC(=CN=C1N)[C@H]1CC[C@H](O)[C@@H](F)C1)C1=CC(F)=CC(Br)=C1

References

General References
Not Available
ChemSpider
72380170
BindingDB
204474
ChEMBL
CHEMBL3909517

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentMelanoma1
1Active Not RecruitingTreatmentBRAF V600 Colorectal Cancer1
1Active Not RecruitingTreatmentMelanoma / Non-Small Cell Lung Cancer (NSCLC)1
1TerminatedTreatmentMelanoma / Non-Small Cell Lung Carcinoma / Other Solid Tumors / Ovarian Neoplasms1
1, 2Active Not RecruitingTreatmentMyelofibrosis1

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 Solubility0.00702 mg/mLALOGPS
logP3.32ALOGPS
logP3.56Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)12.02Chemaxon
pKa (Strongest Basic)9.07Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area113.16 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity137.69 m3·mol-1Chemaxon
Polarizability52.21 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at February 17, 2023 18:52 / Updated at February 18, 2023 02:02