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Chemical structure of TP0427736 hydrochloride

GC70046

TP0427736 hydrochloride

Also known as 6-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole;hydrochloride

TP0427736 hydrochloride is an effective inhibitor of ALK5 kinase activity, with an IC50 of 2·72 nM· This action is 300 times higher than its inhibitory effect on ALK3 (IC50 for inhibiting ALK3 is 836 nM)· TP0427736 hydrochloride also inhibits the phosphorylation of Smad2/3 induced by TGF-β1 in A549 cells, with an IC50 value of 8·68 nM

ChemicalCAS2459963-17-6MW334.85FormulaC14H11ClN4S2
CAS number
2459963-17-6
Molecular weight
334.85
Formula
C14H11ClN4S2
InChIKey
DBKPLYNIVZJPCU-UHFFFAOYSA-N
Catalogue number
GC70046
Brand
GLPBIO
Computed properties PubChem CID 137277519 · TPSA 111 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
111 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21

SMILES CC1=CSC(=N1)C2=C(N=CN2)C3=CC4=C(C=C3)N=CS4.Cl

Computed descriptors from PubChem (CID 137277519), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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