BMS-986142

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

Identification

Name
BMS-986142
Accession Number
DB15291
Type
Small Molecule
Groups
Investigational
Description

BMS-986142 is under investigation in clinical trial NCT02880670 (Pharmacokinetics and Metabolism Study of Radiolabeled BMS-986142 in Healthy Male Subjects).

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
PJX9GH268R
CAS number
1643368-58-4
Weight
Average: 572.613
Monoisotopic: 572.223511788
Chemical Formula
C32H30F2N4O4
InChI Key
ZRYMMWAJAFUANM-INIZCTEOSA-N
InChI
InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1
IUPAC Name
(2S)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide
SMILES
CN1C(=O)N(C(=O)C2=C1C(F)=CC=C2)C1=C(C)C(=CC=C1)C1=C2C3=C(C[C@H](CC3)C(C)(C)O)NC2=C(C=C1F)C(N)=O

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
59053540
BindingDB
230104
ChEMBL
CHEMBL3900554
ZINC
ZINC000222995022
PDBe Ligand
73T
PDB Entries
5t18

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceRheumatoid Arthritis2
1CompletedTreatmentArthritis2
1CompletedTreatmentHealthy Adults1
2CompletedTreatmentRheumatoid Arthritis1
2TerminatedTreatmentSjögren's Syndrome1

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 Solubility0.00094 mg/mLALOGPS
logP3.71ALOGPS
logP4.73ChemAxon
logS-5.8ALOGPS
pKa (Strongest Acidic)14.11ChemAxon
pKa (Strongest Basic)-0.95ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area119.73 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity155.31 m3·mol-1ChemAxon
Polarizability59.43 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Carbazoles
Direct Parent
Carbazoles
Alternative Parents
Indolecarboxamides and derivatives / 3-alkylindoles / 3-halobenzoic acids and derivatives / Quinazolines / Toluenes / Pyrimidones / Aryl fluorides / Vinylogous amides / Tertiary alcohols / Heteroaromatic compounds
show 9 more
Substituents
Carbazole / Indolecarboxamide derivative / Quinazoline / 3-halobenzoic acid or derivatives / Halobenzoic acid or derivatives / 3-alkylindole / Indole / Toluene / Pyrimidone / Benzenoid
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on May 20, 2019 09:08 / Updated on June 12, 2020 10:53

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