NAV

VM4-037

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
3D
Similar Structures
Weight
Average: 620.67
Monoisotopic: 620.152317809
Chemical Formula
C26H29FN6O7S2
Synonyms
Not Available
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
ChemSpider
64853835

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1WithdrawnDiagnosticStage IV Cancer1
0CompletedNot AvailableHead 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
PropertyValueSource
Water Solubility0.017 mg/mLALOGPS
logP2.54ALOGPS
logP3.2Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)3.42Chemaxon
pKa (Strongest Basic)-0.083Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area188.62 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity159.13 m3·mol-1Chemaxon
Polarizability60.98 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00b9-0027079000-5bc8aa49ae2ccdc03429
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000060000-342e2d5711581489f983
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000010000-cb169b8b4fe912f871d6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0598032000-94eabbe1449b6279ef9f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9321040000-2ec9917e4e74ed58a453
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0129121000-0611b84abb5c6a7b4af8
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:13 / Updated at June 12, 2020 16:53