Vactosertib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Vactosertib
Accession Number
DB15310
Type
Small Molecule
Groups
Investigational
Description

Vactosertib is under investigation in clinical trial NCT03724851 (Vactosertib in Combination With Pembrolizumab in Metastatic Colorectal or Gastric Cancer).

Structure
Thumb
Synonyms
Not Available
External IDs
TEW-7197
Categories
Not Available
UNII
6T4O391P5Y
CAS number
1352608-82-2
Weight
Average: 399.433
Monoisotopic: 399.160771771
Chemical Formula
C22H18FN7
InChI Key
FJCDSQATIJKQKA-UHFFFAOYSA-N
InChI
InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
IUPAC Name
2-fluoro-N-{[5-(6-methylpyridin-2-yl)-4-{[1,2,4]triazolo[1,5-a]pyridin-6-yl}-1H-imidazol-2-yl]methyl}aniline
SMILES
CC1=NC(=CC=C1)C1=C(N=C(CNC2=C(F)C=CC=C2)N1)C1=CN2N=CN=C2C=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
ChemSpider
32813335
BindingDB
50015639
ChEMBL
CHEMBL3260567

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingBasic ScienceHealthy Volunteers1
1CompletedTreatmentAdvanced Stage Solid Tumors1
1Not Yet RecruitingTreatmentMalignant Neoplasm of Pancreas1
1RecruitingTreatmentMetastatic Gastric Cancers1
1RecruitingTreatmentMultiple Myeloma (MM)1
1, 2RecruitingTreatmentAdenocarcinomas of the Gastroesophageal Junction / Malignant Neoplasm of Stomach / Metastatic Colorectal Cancer (MCRC)1
1, 2RecruitingTreatmentDesmoid Tumors1
1, 2RecruitingTreatmentMetastatic Non-Small Cell Lung Cancer1
1, 2RecruitingTreatmentMyelodysplastic Syndromes1
1, 2RecruitingTreatmentPancreatic Cancer Metastatic1
2Not Yet RecruitingTreatmentAdvanced Urothelial Carcinoma / Urothelial Carcinoma Recurrent1
2RecruitingTreatmentMyeloproliferative Neoplasms1

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 Solubility0.00936 mg/mLALOGPS
logP3.88ALOGPS
logP3.36ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)10.77ChemAxon
pKa (Strongest Basic)4.59ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area83.79 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity123.9 m3·mol-1ChemAxon
Polarizability42.5 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on May 20, 2019 09:12 / Updated on February 02, 2020 03:22