BMS-986020
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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-986020
- DrugBank Accession Number
- DB14948
- Background
BMS-986020 is under investigation in clinical trial NCT02017730 (To Evaluate The Relationship Between Plasma Drug Levels And Receptor Binding in Lung Using PET (Positron Emission Tomography) In Healthy Volunteers).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 482.536
Monoisotopic: 482.184171945 - Chemical Formula
- C29H26N2O5
- Synonyms
- Not Available
- External IDs
- AM 152
- AM-152
- AM152
- BMS 986020
- BMS986020
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key BMS-986020 sodium Not Available Not Available Not applicable
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Biphenyls and derivatives
- Direct Parent
- Biphenyls and derivatives
- Alternative Parents
- Benzyloxycarbonyls / Cyclopropanecarboxylic acids / Isoxazoles / Heteroaromatic compounds / Carbamate esters / Oxacyclic compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organonitrogen compounds show 3 more
- Substituents
- Aromatic heteromonocyclic compound / Azacycle / Azole / Benzyloxycarbonyl / Biphenyl / Carbamic acid ester / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Cyclopropanecarboxylic acid show 12 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 38CTP01B4L
- CAS number
- 1257213-50-5
- InChI Key
- GQBRZBHEPUQRPL-LJQANCHMSA-N
- InChI
- InChI=1S/C29H26N2O5/c1-18-25(30-28(34)35-19(2)20-6-4-3-5-7-20)26(36-31-18)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(32)33/h3-15,19H,16-17H2,1-2H3,(H,30,34)(H,32,33)/t19-/m1/s1
- IUPAC Name
- 1-{4'-[3-methyl-4-({[(1R)-1-phenylethoxy]carbonyl}amino)-1,2-oxazol-5-yl]-[1,1'-biphenyl]-4-yl}cyclopropane-1-carboxylic acid
- SMILES
- C[C@@H](OC(=O)NC1=C(ON=C1C)C1=CC=C(C=C1)C1=CC=C(C=C1)C1(CC1)C(O)=O)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 57490377
- ChEMBL
- CHEMBL4297270
- ZINC
- ZINC000113624125
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Idiopathic Pulmonary Fibrosis (IPF) 1 2 Withdrawn Treatment Scleroderma 1 1 Completed Not Available Drug Drug Interaction Study 1 1 Completed Not Available Immunosuppression For Disease 2 1 Completed Basic Science Immunology 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 0.00669 mg/mL ALOGPS logP 5.63 ALOGPS logP 5.95 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 4.53 Chemaxon pKa (Strongest Basic) 0.67 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 101.66 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 136.34 m3·mol-1 Chemaxon Polarizability 51.69 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-1009000000-b6bfb634305a71119d03 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-053r-0502900000-6efb30141f53a7d29763 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00l6-5029000000-a4672f7c128a537021e6 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001r-0218900000-10a03018560c07b299f6 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0083-3259200000-3147d5d6298ca7d34047 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-05nk-2291600000-d1fe7b79428f66f30e67 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:37 / Updated at September 28, 2023 05:47