NAV

BMS-833923

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

Identification

Generic Name
BMS-833923
DrugBank Accession Number
DB16844
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 473.58
Monoisotopic: 473.221560509
Chemical Formula
C30H27N5O
Synonyms
  • BMS-833923 free base anhydrous
External IDs
  • XL-139
  • XL139
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
41J7ZJ239R
CAS number
1059734-66-5
InChI Key
KLRRGBHZCJLIEL-UHFFFAOYSA-N
InChI
InChI=1S/C30H27N5O/c1-20-12-13-21(19-31-2)18-27(20)33-29(36)23-14-16-24(17-15-23)32-30-34-26-11-7-6-10-25(26)28(35-30)22-8-4-3-5-9-22/h3-18,31H,19H2,1-2H3,(H,33,36)(H,32,34,35)
IUPAC Name
N-{2-methyl-5-[(methylamino)methyl]phenyl}-4-[(4-phenylquinazolin-2-yl)amino]benzamide
SMILES
CNCC1=CC(NC(=O)C2=CC=C(NC3=NC4=CC=CC=C4C(=N3)C3=CC=CC=C3)C=C2)=C(C)C=C1

References

General References
Not Available
ChemSpider
29785288
ChEMBL
CHEMBL3545403
ZINC
ZINC000096170449

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentLeukemias1
1CompletedTreatmentAdvanced Cancer, Various, NOS1
1CompletedTreatmentBasal Cell Carcinoma (BCC) / Hedgehog Pathway / Nevoid Basal Cell Carcinoma (BCC) Syndrome / Smoothened1
1CompletedTreatmentCancer1
1CompletedTreatmentEsophageal Neoplasms / Neoplasm of Stomach1

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 Solubility0.00166 mg/mLALOGPS
logP5.23ALOGPS
logP6.74Chemaxon
logS-5.4ALOGPS
pKa (Strongest Acidic)12.48Chemaxon
pKa (Strongest Basic)9.02Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area78.94 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity145.82 m3·mol-1Chemaxon
Polarizability53.87 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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0000900000-4790766ebe4ef5fc6dc3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0000900000-f9d3bc2758120b5db59d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0004900000-ddc04430267d65a78736
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00xr-0004900000-31b053b1645d575ab648
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-1229600000-cbc37af42eade2696f13
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00r2-0981500000-ed0c5531d960736d32a9
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at July 25, 2022 15:23 / Updated at December 01, 2022 11:31