NAV

CB-103

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

Identification

Generic Name
CB-103
DrugBank Accession Number
DB15279
Background

CB-103 is under investigation in clinical trial NCT03422679 (Study of CB-103 in Adult Patients With Advanced or Metastatic Solid Tumours and Haematological Malignancies).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 242.322
Monoisotopic: 242.141913208
Chemical Formula
C15H18N2O
Synonyms
  • 3-PYRIDINAMINE, 6-(4-(1,1-DIMETHYLETHYL)PHENOXY)-
  • 6-(4-(1,1-Dimethylethyl)phenoxy)-3-pyridinamine
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
CB-103 hydrochloride37VB9K7MPRNot AvailableWLUQNBKZPMQGJG-UHFFFAOYSA-N

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Diarylethers
Alternative Parents
Phenylpropanes / Phenoxy compounds / Phenol ethers / Aminopyridines and derivatives / Heteroaromatic compounds / Azacyclic compounds / Primary amines / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Amine / Aminopyridine / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Diaryl ether / Heteroaromatic compound / Hydrocarbon derivative / Monocyclic benzene moiety / Organic nitrogen compound
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Q5BB91JL0V
CAS number
218457-67-1
InChI Key
WHIWGRCYMQLLAO-UHFFFAOYSA-N
InChI
InChI=1S/C15H18N2O/c1-15(2,3)11-4-7-13(8-5-11)18-14-9-6-12(16)10-17-14/h4-10H,16H2,1-3H3
IUPAC Name
6-(4-tert-butylphenoxy)pyridin-3-amine
SMILES
CC(C)(C)C1=CC=C(OC2=CC=C(N)C=N2)C=C1

References

General References
Not Available
ChemSpider
2016983
BindingDB
87327
ChEMBL
CHEMBL1420319
ZINC
ZINC000000152719

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentLeukemias / Lymphoblastic Leukemia1
2TerminatedTreatmentAdvanced Breast Cancer1
1, 2RecruitingTreatmentAdenoid Cystic Carcinoma / Metastatic Adenoid Cystic Carcinoma / Recurrent Adenoid Cystic Carcinoma1
1, 2TerminatedTreatmentAdenoid Cystic Carcinoma / Breast Cancer / Colorectal Cancer / Glomus Tumor, Malignant / Hepatocellular Carcinoma / Non-Hodgkin's Lymphoma (NHL) / Osteosarcoma / T-cell Acute Lymphoblastic Leukemia1

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 Solubility0.199 mg/mLALOGPS
logP4ALOGPS
logP3.57Chemaxon
logS-3.1ALOGPS
pKa (Strongest Basic)2.38Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area48.14 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity73.82 m3·mol-1Chemaxon
Polarizability27.15 Å3Chemaxon
Number of Rings2Chemaxon
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/MSsplash10-0006-0090000000-c5481119b3986422e81c
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-32961c6c10481a3c59c6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002f-0390000000-1a6024392e53fcc6a459
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ox-0190000000-1909c535bd37f0db92c7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-06rj-1910000000-8e95a7987e443d10640d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fc1-9850000000-7eca32f674f04fd9d27a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-173.108267
predicted
DarkChem Lite v0.1.0
[M+H]+174.177867
predicted
DarkChem Lite v0.1.0
[M+Na]+173.904467
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 15:07 / Updated at September 28, 2023 05:48