VM4-037
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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
- VM4-037
- DrugBank Accession Number
- DB15319
- Background
VM4-037 is under investigation in clinical trial NCT00884520 (An Exploratory, Open Label, Multi-Center, Non-Randomized Study of [F-18]VM4-037).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 620.67
Monoisotopic: 620.152317809 - Chemical Formula
- C26H29FN6O7S2
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 009954O7PB
- CAS number
- 1071470-72-8
- InChI Key
- QGYZPMXIVNIGKA-GMAHTHKFSA-N
- InChI
- InChI=1S/C26H29FN6O7S2/c1-15(2)23(24(34)29-21(25(35)36)11-16-3-5-18(6-4-16)39-10-9-27)33-13-17(31-32-33)14-40-19-7-8-20-22(12-19)41-26(30-20)42(28,37)38/h3-8,12-13,15,21,23H,9-11,14H2,1-2H3,(H,29,34)(H,35,36)(H2,28,37,38)/t21-,23-/m0/s1
- IUPAC Name
- (2S)-3-[4-(2-fluoroethoxy)phenyl]-2-[(2S)-3-methyl-2-(4-{[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)butanamido]propanoic acid
- SMILES
- CC(C)[C@H](N1C=C(COC2=CC3=C(C=C2)N=C(S3)S(N)(=O)=O)N=N1)C(=O)N[C@@H](CC1=CC=C(OCCF)C=C1)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 64853835
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Withdrawn Diagnostic Stage IV Cancer 1 0 Completed Not Available Head And Neck Cancer / Hepatocellular Carcinoma / Lung Cancer / Renal Cell Carcinoma (RCC) / Squamous Cell Carcinoma (SCC) 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 0.017 mg/mL ALOGPS logP 2.54 ALOGPS logP 3.2 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 3.42 Chemaxon pKa (Strongest Basic) -0.083 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 188.62 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 159.13 m3·mol-1 Chemaxon Polarizability 60.98 Å3 Chemaxon Number of Rings 4 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)
Not Available
Drug created at May 20, 2019 15:13 / Updated at June 12, 2020 16:53