BMS-906024

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

Identification

Name
BMS-906024
Accession Number
DB12006
Type
Small Molecule
Groups
Investigational
Description

BMS-906024 has been used in trials studying the treatment of Cancer, Lymphoblastic Leukemia, Acute T-cell, and Precursor T-Cell Lymphoblastic Lymphoma.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
DRL23N424R
CAS number
1401066-79-2
Weight
Average: 556.509
Monoisotopic: 556.190909691
Chemical Formula
C26H26F6N4O3
InChI Key
AYOUDDAETNMCBW-GSHUGGBRSA-N
InChI
InChI=1S/C26H26F6N4O3/c1-36-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)34-22(24(36)39)35-23(38)17(12-14-26(30,31)32)16(21(33)37)11-13-25(27,28)29/h2-10,16-17,22H,11-14H2,1H3,(H2,33,37)(H,35,38)/t16-,17+,22+/m0/s1
IUPAC Name
(2R,3S)-N-[(3S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide
SMILES
CN1C2=CC=CC=C2C(=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)C1=O)C1=CC=CC=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
PubChem Compound
66550890
PubChem Substance
347828324
ChemSpider
28536138
ChEBI
131164
ZINC
ZINC000100285156
Wikipedia
BMS-906024

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentLymphoblastic Leukemia, Acute T-cell / Precursor T-Cell Lymphoblastic Lymphoma1
1CompletedTreatmentMalignancies2

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 Solubility0.00812 mg/mLALOGPS
logP3.03ALOGPS
logP4.16ChemAxon
logS-4.8ALOGPS
pKa (Strongest Acidic)10.04ChemAxon
pKa (Strongest Basic)0.096ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area104.86 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity129.14 m3·mol-1ChemAxon
Polarizability50.25 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
1,4-benzodiazepines / Benzene and substituted derivatives / N-acyl amines / Tertiary carboxylic acid amides / Secondary carboxylic acid amides / Ketimines / Lactams / Primary carboxylic acid amides / Azacyclic compounds / Propargyl-type 1,3-dipolar organic compounds
show 6 more
Substituents
N-acyl-alpha amino acid or derivatives / Benzodiazepine / 1,4-benzodiazepine / Monocyclic benzene moiety / Fatty amide / N-acyl-amine / Fatty acyl / Benzenoid / Tertiary carboxylic acid amide / Carboxamide group
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:10 / Updated on March 01, 2020 21:04

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