This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Vodobatinib
- DrugBank Accession Number
- DB17141
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Vodobatinib (DB17141)
- Weight
- Average: 453.93
Monoisotopic: 453.1244046 - Chemical Formula
- C27H20ClN3O2
- Synonyms
- 2-chloro-6-methyl-n'-(4-methyl-3-(2-(quinolin-3-yl)ethynyl)benzoyl)benzohydrazide
- 4-methyl-3-quinolin-3-yl-ethynyl benzoic acid n'-(2-chloro-6-methylbenzoyl)hydrazide
- 4-methyl-3-quinolin-3-ylethynylbenzoic acid n'-(2-chloro-6-methylbenzoyl) hydrazide
- Benzoic acid, 2-chloro-6-methyl-, 2-(4-methyl-3-(2-(3-quinolinyl)ethynyl)benzoyl)hydrazide
- External IDs
- K-0706
- K0706
- SCO-088
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
- N8Q12KU2SW
- CAS number
- 1388803-90-4
- InChI Key
- ZQOBVMHBVWNVBG-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H20ClN3O2/c1-17-10-12-22(26(32)30-31-27(33)25-18(2)6-5-8-23(25)28)15-20(17)13-11-19-14-21-7-3-4-9-24(21)29-16-19/h3-10,12,14-16H,1-2H3,(H,30,32)(H,31,33)
- IUPAC Name
- 2-chloro-6-methyl-N'-{4-methyl-3-[2-(quinolin-3-yl)ethynyl]benzoyl}benzohydrazide
- SMILES
- CC1=CC=C(C=C1C#CC1=CC2=C(C=CC=C2)N=C1)C(=O)NNC(=O)C1=C(C)C=CC=C1Cl
References
- General References
- Not Available
- External Links
- ChemSpider
- 81367338
- ChEMBL
- CHEMBL4130229
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Recruiting Treatment Dementia With Lewy Body Disease 1 2 Recruiting Treatment Early Stage Parkinson Disease 1 1 Completed Treatment Healthy Subjects (HS) 2 1 Completed Treatment Parkinson's Disease (PD) 1 1, 2 Active Not Recruiting Treatment Chronic Myeloid Leukemia (for Part B and C) / Healthy (For Part A) 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 0.00128 mg/mL ALOGPS logP 5.09 ALOGPS logP 6 Chemaxon logS -5.6 ALOGPS pKa (Strongest Acidic) 8.82 Chemaxon pKa (Strongest Basic) 2.29 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 71.09 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 125.32 m3·mol-1 Chemaxon Polarizability 48.98 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No 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
- Not Available
Drug created at November 18, 2022 22:54 / Updated at December 01, 2022 11:35