Details of the Drug

General Information of Drug (ID: DM2LBC3)

Drug Name

TEW-7197

Synonyms

Vactosertib

Indication

Disease Entry	ICD 11	Status	REF
Myeloproliferative neoplasm	2A20	Phase 2	[1]
Urothelial carcinoma	2C92.0	Phase 2	[2]
Myelodysplastic syndrome	2A37	Phase 1/2	[3]
Solid tumour/cancer	2A00-2F9Z	Phase 1	[4]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

399.4

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C22H18FN7
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
Canonical SMILES: CC1=NC(=CC=C1)C2=C(N=C(N2)CNC3=CC=CC=C3F)C4=CN5C(=NC=N5)C=C4
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)
InChIKey: FJCDSQATIJKQKA-UHFFFAOYSA-N

Cross-matching ID

Repurposed Drugs (RPD)

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
TGF-beta receptor type I (TGFBR1)	TTP4520	TGFR1_HUMAN	Modulator	[5]
Transforming growth factor beta (TGFB)	TTO3HT7	NOUNIPROTAC	Antagonist	[3]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Myeloproliferative neoplasm

ICD Disease Classification

2A20

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
TGF-beta receptor type I (TGFBR1)	DTT	TGFBR1	2.62E-01	0.27	1.01

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04103645) Intra-patient Dose Escalation Study to Investigate Safety and Feasibility of Vactosertib in Treating Anemic MPN Patients. U.S. National Institutes of Health.
2	ClinicalTrials.gov (NCT04064190) Vactosertib With Durvalumab in Urothelial Carcinoma Failing Checkpoint Inhibition. U.S. National Institutes of Health.
3	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4	ClinicalTrials.gov (NCT02160106) First in Human Dose Escalation Study of TEW-7197 in Subjects With Advanced Stage Solid Tumors. U.S. National Institutes of Health.
5	Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.