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Details

Stereochemistry ACHIRAL
Molecular Formula C22H18FN7
Molecular Weight 399.4236
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VACTOSERTIB

SMILES

CC1=NC(=CC=C1)C2=C(N=C(CNC3=C(F)C=CC=C3)N2)C4=CN5N=CN=C5C=C4

InChI

InChIKey=FJCDSQATIJKQKA-UHFFFAOYSA-N
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)

HIDE SMILES / InChI
Molecular Formula C22H18FN7
Molecular Weight 399.4236
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including: http://adisinsight.springer.com/drugs/800040770 | https://www.pharmacodia.com/yaodu/html/v1/chemicals/35df583a06ef378df8540f6db2d36534.html

EW-7197 is an orally bioavailable inhibitor of the serine/threonine kinase, transforming growth factor (TGF)-beta receptor type 1 (TGFBR1), also known as activin receptor-like kinase 5 (ALK5), with potential antineoplastic activity. EW-7197 is in phase I clinical trials for the treatment of solid tumors. Also, EW-7197 has a strong potential as an anti-fibrosis therapeutic agent.

Originator

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
 13.0 nM [IC50]
Inhibitor
8504
 11.0 nM [IC50]
Inhibitor
8504
 54.0 nM [IC50]
Inhibitor
8504
 97.0 nM [IC50]
Inhibitor
8504
 1.8 µM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Phase I
438
Unknown

Approved Use

Unknown
Primary
Preclinical
Unknown

Approved Use

Unknown
Primary
Preclinical
Unknown

Approved Use

Unknown
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
1973 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/38363333/
200 mg 2 times / day multiple, oral
dose: 200 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VACTOSERTIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
672 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/38363333/
100 mg 2 times / day multiple, oral
dose: 100 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VACTOSERTIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
1.31 μg/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/31300967
340 mg single, oral
dose: 340 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VACTOSERTIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
2.05 μg/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/31300967
340 mg 1 times / day multiple, oral
dose: 340 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VACTOSERTIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
6033 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/38363333/
200 mg 2 times / day multiple, oral
dose: 200 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VACTOSERTIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
2905 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/38363333/
100 mg 2 times / day multiple, oral
dose: 100 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VACTOSERTIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
6.29 μg × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/31300967
340 mg single, oral
dose: 340 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VACTOSERTIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
8.02 μg × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/31300967
340 mg 1 times / day multiple, oral
dose: 340 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VACTOSERTIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
2.2 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/38363333/
200 mg 2 times / day multiple, oral
dose: 200 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VACTOSERTIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
2.5 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/38363333/
100 mg 2 times / day multiple, oral
dose: 100 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VACTOSERTIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
3.9 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/31300967
340 mg single, oral
dose: 340 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
VACTOSERTIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
7.4 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/31300967
340 mg 1 times / day multiple, oral
dose: 340 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
VACTOSERTIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
Doses

Doses

DosePopulationAdverse events​
340 mg 1 times / day multiple, oral
Highest studied dose
Dose: 340 mg, 1 times / day
Route: oral
Route: multiple
Dose: 340 mg, 1 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/31300967
unhealthy
Health Status: unhealthy
Sex: M+F
Food Status: FASTED
Sources:
https://pubmed.ncbi.nlm.nih.gov/31300967
Sources:
https://pubmed.ncbi.nlm.nih.gov/31300967
Sourcing

Sourcing

Vendor/AggregatorIDURL
001 Chemical
DY107485
https://www.001chemical.com/chem/search?q=DY107485
1PlusChem LLC
1P003ASW
https://www.1pchem.com/search?query=1P003ASW
1PlusChem LLC
1P01EON8
https://www.1pchem.com/search?query=1P01EON8
A2B Chem
AB53168
http://a2bchem.com/prod/AB53168
AChemBlock
M15347
http://www.achemblock.com/catalogsearch/result/?q=M15347
AK Scientific
2408AH
https://aksci.com/item_detail.php?cat=2408AH
Ambeed
A287741
http://www.ambeed.com/search/Search.html?keyword=A287741
Angene
AGN-PC-0WALT4
http://www.angenechemical.com/productshow/AGN-PC-0WALT4.html
ApexBio Technology
B5946
https://www.apexbt.com/catalogsearch/result/?q=B5946
AstaTech
43281
http://astatechinc.com/CPSResult.php?CRNO=43281
BLD Pharm
BD305563
http://www.bldpharm.com/search/Search.html?keyword=BD305563
BOC Sciences
1352608-82-2
http://www.bocsci.com/description.asp?cas=1352608-82-2
Cayman Chemical
19231
http://www.caymanchem.com/app/template/Product.vm/catalog/19231
Chem Scene
CS-0040677
http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0040677
Chem Scene
CS-5679
http://www.chemscene.com/goproductList/searchProductList?productObj=CS-5679
ChemShuttle
129593
https://www.chemshuttle.com/catalogsearch/result/?q=129593
eMolecules
50894583
https://orderbb.emolecules.com/search/#?query=50894583
eMolecules
92488460
https://orderbb.emolecules.com/search/#?query=92488460
Excenen
EX-A1738
http://www.excenen.com/searchresultlist.php?id=EX-A1738
KeyOrganics
AS-10150
http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-10150
Lab Network
LN01307797
https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01307797
Lab Seeker
SC-82436
http://www.labseeker.com/search.php?keywords=SC-82436&category=0
LabSeeker
SC-82436
http://www.labseeker.com/search.php?keywords=SC-82436&category=0
Matrix Scientific
133260
http://www.matrixscientific.com/133260.html
mcule
MCULE-8109876384
https://mcule.com/MCULE-8109876384/
MedChem Express
HY-19928
https://www.medchemexpress.com/search.html?q=HY-19928A&ft=&fa=&fp=
MedChem Express
HY-19928A
https://www.medchemexpress.com/search.html?q=HY-19928A&ft=&fa=&fp=
Molcore
MC107485
http://www.molcore.com/CatMC107485.html
Molnova
M11430
https://www.molnova.com/en/serch-list.html?keywords=M11430
MolPort
MolPort-035-789-717
https://www.molport.com/shop/molecule-link/MolPort-035-789-717
MolPort
MolPort-046-417-273
https://www.molport.com/shop/molecule-link/MolPort-046-417-273
MolPort
MolPort-046-418-480
https://www.molport.com/shop/molecule-link/MolPort-046-418-480
MuseChem
I001361
https://www.musechem.com/product/I001361.html
PI Chemicals
PI-44594
http://www.pipharm.com/catalog_products/PI-44594.html
Selleck Chemicals
S7530
http://www.selleckchem.com/search.html?searchDTO.searchParam=S7530
ShangHai Biochempartner
BCP18384
http://www.biochempartner.com/search_BCP18384
PubMed

PubMed

TitleDatePubMed
Patents

Patents

US8080568 B1
1

Sample Use Guides

In Vivo Use Guide
Starting single daily dose is 30 mg, with escalation to 60 mg, and subsequent dose escalation using a modified Fibonacci algorithm (once daily for 5 days followed by 2 days without treatment in 28-day cycles)
Route of Administration: Oral
In Vitro Use Guide
EW-7197 inhibited 4T1 cell proliferation when added at a high concentration (5,000 nM/L)
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:02:53 GMT 2025
Edited
by admin
on Mon Mar 31 22:02:53 GMT 2025
Record UNII
6T4O391P5Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VACTOSERTIB
INN  
Official Name English
TEW-7197
Preferred Name English
vactosertib [INN]
Common Name English
1H-IMIDAZOLE-2-METHANAMINE, N-(2-FLUOROPHENYL)-5-(6-METHYL-2-PYRIDINYL)-4-(1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL-
Systematic Name English
N-((4-((1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL)-5-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-2-YL)METHYL)-2-FLUOROANILINE
Systematic Name English
EW-7197
Common Name English
Vactosertib [WHO-DD]
Common Name English
2-FLUORO-N-((4-(6-METHYLPYRIDIN-2-YL)-5-((1,2,4)TRIAZOLO(1,5-A)PYRIDIN-6-YL)-1H-IMIDAZOL-2-YL)METHYL)ANILINE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
FDA ORPHAN DRUG 827321
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
NCI_THESAURUS C61074
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
FDA ORPHAN DRUG 767320
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
FDA ORPHAN DRUG 834121
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
FDA ORPHAN DRUG 575617
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
Code System Code Type Description
SMS_ID
300000008774
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
PRIMARY
CAS
1352608-82-2
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
PRIMARY
NCI_THESAURUS
C116357
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
PRIMARY
PUBCHEM
54766013
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
PRIMARY
INN
10645
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
PRIMARY
DRUG BANK
DB15310
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
PRIMARY
FDA UNII
6T4O391P5Y
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID401010181
Created by admin on Mon Mar 31 22:02:53 GMT 2025 , Edited by admin on Mon Mar 31 22:02:53 GMT 2025
PRIMARY
Related Record Type Details
TGF-BETA RECEPTOR TYPE-1
TARGET -> INHIBITOR
Related Record Type Details
Structure of VACTOSERTIB
ACTIVE MOIETY
NIH
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