ABC-294640

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

Identification

Name
ABC-294640
Accession Number
DB12764
Type
Small Molecule
Groups
Investigational
Description

ABC294640 has been used in trials studying the treatment of Diffuse Large B Cell Lymphoma.

Structure
Thumb
Synonyms
Not Available
External IDs
ABC 294640
Categories
UNII
DRG21OQ517
CAS number
915385-81-8
Weight
Average: 380.92
Monoisotopic: 380.1655411
Chemical Formula
C23H25ClN2O
InChI Key
CAOTVXGYTWCKQE-UHFFFAOYSA-N
InChI
InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
IUPAC Name
3-(4-chlorophenyl)-N-[(pyridin-4-yl)methyl]adamantane-1-carboxamide
SMILES
ClC1=CC=C(C=C1)C12CC3CC(CC(C3)(C1)C(=O)NCC1=CC=NC=C1)C2

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
PubChem Compound
15604015
PubChem Substance
347828950
ChemSpider
13079494
BindingDB
50393642
ChEBI
124965
ChEMBL
CHEMBL2158685

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentMalignant Neoplasm of Pancreas / Unspecified Adult Solid Tumor, Protocol Specific1
1, 2TerminatedTreatmentMultiple Myeloma (MM)1
1, 2WithdrawnTreatmentKaposi s Sarcoma (KS) / Lymphoma, Large B-Cell, Diffuse (DLBCL)1
2RecruitingTreatmentCholangiocarcinoma Non-resectable / Cholangiocarcinoma, Perihilar / Cholangiocarcinomas / Extrahepatic Cholangiocarcinoma / Intrahepatic Cholangiocarcinoma1
2RecruitingTreatmentInfections, Coronavirus / Novel Coronavirus Infectious Disease (COVID-19)1
2WithdrawnTreatmentHepatocellular,Carcinoma1
Not AvailableAvailableNot AvailableCholangiocarcinoma Non-resectable / Cholangiocarcinoma, Perihilar / Cholangiocarcinomas / Extrahepatic Cholangiocarcinoma / Intrahepatic Cholangiocarcinoma1
Not AvailableCompletedNot AvailableInfections, Coronavirus / Novel Coronavirus Infectious Disease (COVID-19)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
PropertyValueSource
Water Solubility0.000215 mg/mLALOGPS
logP4.56ALOGPS
logP4.34ChemAxon
logS-6.2ALOGPS
pKa (Strongest Acidic)15.12ChemAxon
pKa (Strongest Basic)5.02ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area41.99 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity106.94 m3·mol-1ChemAxon
Polarizability42.19 Å3ChemAxon
Number of Rings5ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Halobenzenes
Direct Parent
Chlorobenzenes
Alternative Parents
Pyridines and derivatives / Aryl chlorides / Heteroaromatic compounds / Secondary carboxylic acid amides / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organochlorides / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Chlorobenzene / Aryl chloride / Aryl halide / Pyridine / Heteroaromatic compound / Carboxamide group / Secondary carboxylic acid amide / Carboxylic acid derivative / Azacycle / Organoheterocyclic compound
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:05 / Updated on June 12, 2020 10:53

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