BMS-833923
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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-833923
- DrugBank Accession Number
- DB16844
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 473.58
Monoisotopic: 473.221560509 - Chemical Formula
- C30H27N5O
- Synonyms
- BMS-833923 free base anhydrous
- External IDs
- XL-139
- XL139
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
- 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
- External Links
- ChemSpider
- 29785288
- ChEMBL
- CHEMBL3545403
- ZINC
- ZINC000096170449
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Leukemias 1 1 Completed Treatment Advanced Cancer, Various, NOS 1 1 Completed Treatment Basal Cell Carcinoma (BCC) / Hedgehog Pathway / Nevoid Basal Cell Carcinoma (BCC) Syndrome / Smoothened 1 1 Completed Treatment Cancer 1 1 Completed Treatment Esophageal Neoplasms / Neoplasm of Stomach 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 0.00166 mg/mL ALOGPS logP 5.23 ALOGPS logP 6.74 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 12.48 Chemaxon pKa (Strongest Basic) 9.02 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 78.94 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 145.82 m3·mol-1 Chemaxon Polarizability 53.87 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, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0000900000-4790766ebe4ef5fc6dc3 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00di-0000900000-f9d3bc2758120b5db59d Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0004900000-ddc04430267d65a78736 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00xr-0004900000-31b053b1645d575ab648 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-1229600000-cbc37af42eade2696f13 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00r2-0981500000-ed0c5531d960736d32a9 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 July 25, 2022 15:23 / Updated at December 01, 2022 11:31