Etrumadenant
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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
- Etrumadenant
- DrugBank Accession Number
- DB17506
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 426.484
Monoisotopic: 426.19165736 - Chemical Formula
- C23H22N8O
- Synonyms
- Not Available
- External IDs
- AB-928
- AB928
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- W0ZE0NT8IF
- CAS number
- 2239273-34-6
- InChI Key
- BUXIAWLTBSXYSW-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28)
- IUPAC Name
- 3-[2-amino-6-(1-{[6-(2-hydroxypropan-2-yl)pyridin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)pyrimidin-4-yl]-2-methylbenzonitrile
- SMILES
- CC1=C(C=CC=C1C#N)C1=NC(N)=NC(=C1)C1=CN(CC2=NC(=CC=C2)C(C)(C)O)N=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 76117733
- ChEMBL
- CHEMBL4740383
- PDBe Ligand
- U30
- PDB Entries
- 8c9w / 8cic / 8jwz
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Carcinoma, Non-Small Cell / Non-Small Cell Lung Cancer (NSCLC) 1 2 Active Not Recruiting Treatment Lung Cancer / Non-Small Cell Lung Cancer (NSCLC) / Non-squamous Non-small-cell Lung Cancer (NSQ NSCLC) / Squamous Cell Non-small Cell Lung Cancer 1 2 Completed Treatment Metastatic Castration-Resistant Prostate Cancer (mCRPC) / Prostate Cancer 1 2 Recruiting Treatment Adenocarcinoma of Prostate / Localized Prostate Cancer / Prostate Cancer 1 2 Recruiting Treatment Dedifferentiated Liposarcoma / Metastatic Dedifferentiated Liposarcoma / Recurrent Dedifferentiated Liposarcoma / Sarcomas / Soft Tissue Sarcoma / Unresectable Dedifferentiated Liposarcoma 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 0.0492 mg/mL ALOGPS logP 2.56 ALOGPS logP 3.67 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 13.94 Chemaxon pKa (Strongest Basic) 3.98 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 139.42 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 131.98 m3·mol-1 Chemaxon Polarizability 46.23 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key 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 February 09, 2023 19:38 / Updated at February 10, 2023 08:55