ATX-914
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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
- ATX-914
- DrugBank Accession Number
- DB12673
- Background
Axt914 is under investigation in clinical trial NCT00417261 (Safety, Tolerability, Pharmacodynamic and Pharmacokinetic Effects of Single and Multiple-Doses of ATF936 and AXT914 Administered Orally in Healthy Subjects.).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 539.433
Monoisotopic: 538.100439 - Chemical Formula
- C29H23BrN4O2
- Synonyms
- Not Available
- External IDs
- AXT914
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazines
- Sub Class
- Pyrimidines and pyrimidine derivatives
- Direct Parent
- Phenylpyrimidines
- Alternative Parents
- Quinoxalines / Quinazolines / Aromatic monoterpenoids / Phenylpropanes / Cumenes / Pyrimidones / Alkyl aryl ethers / Pyrazines / Aryl bromides / Heteroaromatic compounds show 7 more
- Substituents
- 4-phenylpyrimidine / 5-phenylpyrimidine / Acetylide / Alkyl aryl ether / Aromatic heteropolycyclic compound / Aromatic monoterpenoid / Aryl bromide / Aryl halide / Azacycle / Benzenoid show 21 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8VK61D7U5D
- CAS number
- Not Available
- InChI Key
- ALANRBCCCQEPFZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C29H23BrN4O2/c1-4-13-36-22-10-12-26-23(15-22)28(21-8-6-20(7-9-21)18(2)3)33-29(35)34(26)17-19-5-11-24-25(14-19)31-16-27(30)32-24/h1,5-12,14-16,18H,13,17H2,2-3H3
- IUPAC Name
- 1-[(2-bromoquinoxalin-6-yl)methyl]-6-(prop-2-yn-1-yloxy)-4-[4-(propan-2-yl)phenyl]-1,2-dihydroquinazolin-2-one
- SMILES
- CC(C)C1=CC=C(C=C1)C1=NC(=O)N(CC2=CC=C3N=C(Br)C=NC3=C2)C2=CC=C(OCC#C)C=C12
References
- General References
- Not Available
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Healthy Volunteers (HV) 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 0.00287 mg/mL ALOGPS logP 5.16 ALOGPS logP 6.12 Chemaxon logS -5.3 ALOGPS pKa (Strongest Basic) 0.28 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 67.68 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 142.95 m3·mol-1 Chemaxon Polarizability 55.2 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 213.53322 predictedDeepCCS 1.0 (2019) [M+H]+ 215.92877 predictedDeepCCS 1.0 (2019) [M+Na]+ 221.84131 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:33 / Updated at June 12, 2020 16:53