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

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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 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
ChemSpider
57490377
ZINC
ZINC000113624125

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentIdiopathic Pulmonary Fibrosis (IPF)1
2WithdrawnTreatmentScleroderma1
1CompletedNot AvailableDrug-drug Interaction Study1
1CompletedNot AvailableImmunosuppression For Disease2
1CompletedBasic ScienceImmunology1

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 Solubility0.00669 mg/mLALOGPS
logP5.63ALOGPS
logP5.95ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)4.53ChemAxon
pKa (Strongest Basic)0.67ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area101.66 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity136.34 m3·mol-1ChemAxon
Polarizability51.69 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at May 20, 2019 14:37 / Updated at June 12, 2020 16:53