Centhaquine
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Centhaquine
- DrugBank Accession Number
- DB16122
- Background
Centhaquine is under investigation in clinical trial NCT04045327 (Efficacy of PMZ-2010 (Centhaquine) a Resuscitative Agent for Hypovolemic Shock).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 331.463
Monoisotopic: 331.204847817 - Chemical Formula
- C22H25N3
- Synonyms
- Centhaquine
- Compound-7173
- External IDs
- PMZ-2010
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
- ATC Codes
- C01CA28 — Centhaquine
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- QD4VI0J9T5
- CAS number
- 57961-90-7
- InChI Key
- UJNWGFBJUHIJKK-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H25N3/c1-18-5-4-7-21(17-18)25-15-13-24(14-16-25)12-11-20-10-9-19-6-2-3-8-22(19)23-20/h2-10,17H,11-16H2,1H3
- IUPAC Name
- 2-{2-[4-(3-methylphenyl)piperazin-1-yl]ethyl}quinoline
- SMILES
- CC1=CC(=CC=C1)N1CCN(CCC2=CC=C3C=CC=CC3=N2)CC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 142413
- ZINC
- ZINC000000001105
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data4 Recruiting Treatment Shock, Hypovolemic 1 somestatus stop reason just information to hide 3 Completed Treatment Shock, Hypovolemic 1 somestatus stop reason just information to hide 3 Not Yet Recruiting Treatment Shock, Hypovolemic 1 somestatus stop reason just information to hide 2 Completed Treatment Bloodloss / Shock, Hypovolemic 1 somestatus stop reason just information to hide 2 Not Yet Recruiting Treatment Acute Respiratory Distress Syndrome Caused by COVID-19 / Coronavirus Disease 2019 (COVID‑19) 1 somestatus stop reason just information to hide
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 0.106 mg/mL ALOGPS logP 4.68 ALOGPS logP 4.64 Chemaxon logS -3.5 ALOGPS pKa (Strongest Basic) 8.15 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 19.37 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 104.29 m3·mol-1 Chemaxon Polarizability 39.67 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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 splash10-001i-0009000000-0b94df7650df69eb23fb Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0109000000-fabe6a8719f79129a8db Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0109000000-a9e395ef4ad8261cc67e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-0009000000-0bd2cc431298d602bcfc Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-1911000000-11aa516b2819eb53a760 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fai-0923000000-5e38a4caf959a4070610 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]- 188.7827766 predictedDarkChem Lite v0.1.0 [M+H]+ 190.1672766 predictedDarkChem Lite v0.1.0 [M+Na]+ 190.2149766 predictedDarkChem Lite v0.1.0
Drug created at December 15, 2020 18:13 / Updated at February 21, 2021 18:55