NAV

CR6086

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

Identification

Generic Name
CR6086
DrugBank Accession Number
DB16111
Background

CR6086 is under investigation in clinical trial NCT03163966 (A Study of the EP4 Antagonist CR6086 in Combination With Methotrexate, in Dmard-naïve Patients With Early Rheumatoid Arthritis).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 472.508
Monoisotopic: 472.197377226
Chemical Formula
C26H27F3N2O3
Synonyms
Not Available
External IDs
  • CR-6086
  • CR6086
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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
SS2LQQ8094
CAS number
1417742-86-9
InChI Key
CADWTPLFEZSAHM-UHFFFAOYSA-N
InChI
InChI=1S/C26H27F3N2O3/c27-26(28,29)20-5-1-17(2-6-20)16-31-14-13-24(9-10-24)15-21(31)22(32)30-25(11-12-25)19-7-3-18(4-8-19)23(33)34/h1-8,21H,9-16H2,(H,30,32)(H,33,34)
IUPAC Name
4-[1-(6-{[4-(trifluoromethyl)phenyl]methyl}-6-azaspiro[2.5]octane-5-amido)cyclopropyl]benzoic acid
SMILES
OC(=O)C1=CC=C(C=C1)C1(CC1)NC(=O)C1CC2(CC2)CCN1CC1=CC=C(C=C1)C(F)(F)F

References

General References
Not Available
ChemSpider
61747700
ChEMBL
CHEMBL3920982

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentRheumatoid Arthritis, DMARD-naive and Early Disease Patients1
1, 2Active Not RecruitingTreatmentMicrosatellite Stable Metastatic Colorectal Cancer / Mismatch Repair Protein Proficient / Refractory, metastatic Colorectal cancer / 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 Solubility0.00152 mg/mLALOGPS
logP4.11ALOGPS
logP1.95Chemaxon
logS-5.5ALOGPS
pKa (Strongest Acidic)3.99Chemaxon
pKa (Strongest Basic)7.76Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area69.64 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity121.46 m3·mol-1Chemaxon
Polarizability46.22 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-00di-0000900000-728809e2dc7a8ebd43c8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0000900000-03a1a2f5af86d5efd747
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0120900000-763501cb4ee34e0544f9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0110900000-a826df9004843fb78fab
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-1901600000-e46f92447b94458136cd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00xr-4981700000-ecb5007b54eb1ec26be6
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 18:05 / Updated at December 20, 2020 03:37