vactosertib   Click here for help

GtoPdb Ligand ID: 8107

Synonyms: EW-7197 | EW7197 | NOV-1301 | TEW-7197
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: The discovery of vactosertib (EW-7197) is reported in [1] where it is compound 12b. EW-7197 acts as in inhibitor of transforming growth factor beta receptor 1B (TGFβR1; ALK5) and activin A receptor type IB (ACVR1B; ALK4). The compound is potent, selective, and orally bioavailable, and exhibits experimental anti-tumour activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 83.79
Molecular weight 399.16
XLogP 3.56
No. Lipinski's rules broken 0
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Canonical SMILES Cc1cccc(n1)c1[nH]c(nc1c1ccc2n(c1)ncn2)CNc1ccccc1F
Isomeric SMILES Cc1cccc(n1)c1[nH]c(nc1c1ccc2n(c1)ncn2)CNc1ccccc1F
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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10645 vactosertib
Synonyms Click here for help
EW-7197 | EW7197 | NOV-1301 | TEW-7197
Database Links Click here for help
CAS Registry No. 1352608-82-2
ChEMBL Ligand CHEMBL3260567
GtoPdb PubChem SID 249565787
PubChem CID 54766013
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