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]
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
PubChem CID
54766013
CAS Number
1352608-82-2
UNII
6T4O391P5Y
DrugBank ID
DB15310
TTD ID
D0MR0B
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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]
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.