BMS-986142
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- BMS-986142
- DrugBank Accession Number
- DB15291
- Background
BMS-986142 is under investigation in clinical trial NCT02880670 (Pharmacokinetics and Metabolism Study of Radiolabeled BMS-986142 in Healthy Male Subjects).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 572.613
Monoisotopic: 572.223511788 - Chemical Formula
- C32H30F2N4O4
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Chemical TaxonomyProvided by Classyfire
- 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
- 3-alkylindole / 3-halobenzoic acid or derivatives / Alcohol / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Carbazole / Carboxamide group show 24 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- PJX9GH268R
- CAS number
- 1643368-58-4
- 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
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
Phase Status Purpose Conditions Count 2 Completed Treatment Rheumatoid Arthritis 1 2 Terminated Treatment Sjögren's Syndrome (SS) 1 1 Completed Basic Science Rheumatoid Arthritis 2 1 Completed Treatment Articular inflammation 2 1 Completed Treatment Healthy Adults 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
Property Value Source Water Solubility 0.00094 mg/mL ALOGPS logP 3.71 ALOGPS logP 4.73 Chemaxon logS -5.8 ALOGPS pKa (Strongest Acidic) 14.11 Chemaxon pKa (Strongest Basic) -0.95 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 119.73 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 155.31 m3·mol-1 Chemaxon Polarizability 59.43 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 15:08 / Updated at June 12, 2020 16:53