RKI-1447

RKI-1447
Identifiers
	IUPAC name 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea;
CAS Number	1342278-01-6 ;
PubChem CID	60138149;
ChemSpider	29315066;
UNII	F8GZ6C9MKZ;
ChEMBL	ChEMBL3218011;
CompTox Dashboard (EPA)	DTXSID501336679 ;
Chemical and physical data
Formula	C16H14N4O2S
Molar mass	326.37 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1=CC(=CC(=C1)O)CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3;
	InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22); Key:GDVRVPIXWXOKQO-UHFFFAOYSA-N;

RKI-1447 is a drug which acts as a potent and selective inhibitor of the enzyme Rho kinase, with an IC₅₀ of 14.5 nM at ROCK1 and 6.2 nM at ROCK2. It has been investigated for applications in cancer treatment,^[1]^[2]^[3] as well as glaucoma,^[4] and nonalcoholic fatty liver disease.^[5]

References

Identifiers

IUPAC name 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CAS Number	1342278-01-6^Y
PubChem CID	60138149
ChemSpider	29315066
UNII	F8GZ6C9MKZ
ChEMBL	ChEMBL3218011
CompTox Dashboard (EPA)	DTXSID501336679
Chemical and physical data
Formula	C₁₆H₁₄N₄O₂S
Molar mass	326.37 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1=CC(=CC(=C1)O)CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3
InChI InChI=1S/C16H14N4O2S/c21-13-3-1-2-11(8-13)9-18-15(22)20-16-19-14(10-23-16)12-4-6-17-7-5-12/h1-8,10,21H,9H2,(H2,18,19,20,22) Key:GDVRVPIXWXOKQO-UHFFFAOYSA-N