HX-1171
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- HX-1171
- DrugBank Accession Number
- DB12162
- Background
Hx 1171 is under investigation in clinical trial NCT01548391 (A Phase I Clinical Study Study of the Safety, Tolerability, and Pharmacokinetics of HX-1171 in Healthy Male Subjects).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 236.355
Monoisotopic: 236.177630013 - Chemical Formula
- C15H24O2
- Synonyms
- Not Available
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 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Phenols
- Sub Class
- 4-alkoxyphenols
- Direct Parent
- 4-alkoxyphenols
- Alternative Parents
- Phenoxy compounds / Phenol ethers / Ortho cresols / Meta cresols / Alkyl aryl ethers / Hydrocarbon derivatives
- Substituents
- 4-alkoxyphenol / Alkyl aryl ether / Aromatic homomonocyclic compound / Ether / Hydrocarbon derivative / M-cresol / Monocyclic benzene moiety / O-cresol / Organic oxygen compound / Organooxygen compound
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 70BK60I8RP
- CAS number
- 148081-72-5
- InChI Key
- ATMNQRRJNBCQJO-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H24O2/c1-5-6-7-8-9-17-14-10-11(2)15(16)13(4)12(14)3/h10,16H,5-9H2,1-4H3
- IUPAC Name
- 4-(hexyloxy)-2,3,6-trimethylphenol
- SMILES
- CCCCCCOC1=CC(C)=C(O)C(C)=C1C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 119193
- PubChem Substance
- 347828454
- ChemSpider
- 106481
- ChEMBL
- CHEMBL3182532
- ZINC
- ZINC000001538784
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Unknown Status Supportive Care Healthy Volunteers (HV) 1 Not Available Temporarily Not Available Not Available 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 0.0445 mg/mL ALOGPS logP 4.6 ALOGPS logP 5.27 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 10.75 Chemaxon pKa (Strongest Basic) -4.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 29.46 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 72.7 m3·mol-1 Chemaxon Polarizability 29.37 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No 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 splash10-000l-9540000000-1b383765581c6fb6e36e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014u-2900000000-6e4606920745206dd59b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0290000000-343e9ee757bda172423d Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0uej-1920000000-3ca9be4e43d4357041fa Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9700000000-71251785ab167326841e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0f7k-0900000000-c25eb077196d9f87b8fa Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 165.470302 predictedDarkChem Lite v0.1.0 [M-H]- 167.6667485 predictedDarkChem Lite v0.1.0 [M-H]- 164.24585 predictedDeepCCS 1.0 (2019) [M+H]+ 169.1726756 predictedDarkChem Lite v0.1.0 [M+H]+ 168.1850485 predictedDarkChem Lite v0.1.0 [M+H]+ 166.60385 predictedDeepCCS 1.0 (2019) [M+Na]+ 169.942621 predictedDarkChem Lite v0.1.0 [M+Na]+ 167.7870485 predictedDarkChem Lite v0.1.0 [M+Na]+ 174.45193 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:30 / Updated at June 12, 2020 16:53