BMS-817399

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

Identification

Name
BMS-817399
Accession Number
DB14941
Type
Small Molecule
Groups
Investigational
Description

BMS-817399 is under investigation in clinical trial NCT01404585 (Proof-of-Concept Study With BMS-817399 to Treat Moderate to Severe Rheumatoid Arthritis).

Structure
Thumb
Synonyms
Not Available
Categories
UNII
AKQ3X6FEH0
CAS number
1202400-18-7
Weight
Average: 454.01
Monoisotopic: 453.2394344
Chemical Formula
C23H36ClN3O4
InChI Key
GTDPZONCGOCXOD-JPYJTQIMSA-N
InChI
InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1
IUPAC Name
1-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)urea
SMILES
CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(C2=CC=C(Cl)C=C2)C(C)(C)C1

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
ChemSpider
58117293
BindingDB
50056504
ChEMBL
CHEMBL3334824

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentRheumatoid Arthritis1

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 Solubility0.128 mg/mLALOGPS
logP2.56ALOGPS
logP2.21ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)13.57ChemAxon
pKa (Strongest Basic)-1.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area101.9 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity121.27 m3·mol-1ChemAxon
Polarizability49.51 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
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 08:36 / Updated on June 12, 2020 10:53

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