COTI-2
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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
- COTI-2
- DrugBank Accession Number
- DB17507
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 366.49
Monoisotopic: 366.162665906 - Chemical Formula
- C19H22N6S
- Synonyms
- 1-piperazinecarbothioic acid, 4-(2-pyridinyl)-, 2-(6,7-dihydro-8(5h)-quinolinylidene)hydrazide
- External IDs
- COTI 2
- COTI-2
- COTI2
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
- 2BTA1O65BR
- CAS number
- 1039455-84-9
- InChI Key
- UTDAKQMBNSHJJB-CJLVFECKSA-N
- InChI
- InChI=1S/C19H22N6S/c26-19(23-22-16-7-3-5-15-6-4-10-21-18(15)16)25-13-11-24(12-14-25)17-8-1-2-9-20-17/h1-2,4,6,8-10H,3,5,7,11-14H2,(H,23,26)/b22-16+
- IUPAC Name
- 4-(pyridin-2-yl)-N-{[(8E)-5,6,7,8-tetrahydroquinolin-8-ylidene]amino}piperazine-1-carbothioamide
- SMILES
- S=C(N\N=C1/CCCC2=C1N=CC=C2)N1CCN(CC1)C1=CC=CC=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 52084108
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Unknown Status Treatment Cervical Cancer / Colorectal Cancer / Endometrial Cancer / Fallopian Tube Cancer / Head And Neck Cancer / Lung Cancer / Ovarian Cancer / Pancreatic Cancer / Peritoneal Cancer / Squamous Cell Carcinoma of the Head and Neck (SCCHN) 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 0.0483 mg/mL ALOGPS logP 2.85 ALOGPS logP 2.99 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 11.78 Chemaxon pKa (Strongest Basic) 6.42 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 56.65 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 107.89 m3·mol-1 Chemaxon Polarizability 40.21 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes 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 20:10 / Updated at September 24, 2023 02:55