Rho kinase inhibitor IV   

GtoPdb Ligand ID: 6033

Synonyms: glycyl-H 1152
Compound class: Synthetic organic
Comment: This is compound 18 in [3]. It is a selective and potent Rho kinase inhibitor
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 104.98
Molecular weight 376.16
XLogP 0.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NCC(=O)N1CCCN(C(C1)C)S(=O)(=O)c1cccc2c1c(C)cnc2
Isomeric SMILES NCC(=O)N1CCCN([C@H](C1)C)S(=O)(=O)c1cccc2c1c(C)cnc2
InChI InChI=1S/C18H24N4O3S/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3/t14-/m0/s1
InChI Key CMKMGFAUKPAOMG-AWEZNQCLSA-N

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen
A screen profiling 158 kinase inhibitors (Calbiochem Protein Kinase Inhibitor Library I and II, catalogue numbers 539744 and 539745) for their inhibitory activity at 1µM and 10µM against 234 human recombinant kinases using the EMD Millipore KinaseProfilerTM service.

A screen profiling the inhibitory activity of 178 commercially available kinase inhibitors at 0.5µM against a panel of 300 recombinant protein kinases using the Reaction Biology Corporation Kinase HotspotSM platform.

http://www.millipore.com/techpublications/tech1/pf3036
http://www.reactionbiology.com/webapps/main/pages/kinase.aspx


Reference: 1-2

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action % Activity remaining at 0.5µM % Activity remaining at 1µM % Activity remaining at 10µM
Rho associated coiled-coil containing protein kinase 2 ROCK-II/ROCK2 Hs Inhibitor Inhibition 3.2 1.0 -1.0
Rho associated coiled-coil containing protein kinase 1 ROCK-I/ROCK1 Hs Inhibitor Inhibition 3.4 34.0 14.0
protein kinase C delta PKCδ/PKCd Hs Inhibitor Inhibition 22.4 7.0 3.0
protein kinase N1 nd/PKN1(PRK1) Hs Inhibitor Inhibition 25.3
protein kinase C eta PKCη/PKCeta Hs Inhibitor Inhibition 34.4 27.0 4.0
aurora kinase B Aurora-B/Aurora B Hs Inhibitor Inhibition 34.9 6.0 3.0
serine/threonine kinase 10 LOK/LOK(STK10) Hs Inhibitor Inhibition 42.0 54.0 21.0
unc-51 like autophagy activating kinase 1 nd/ULK1 Hs Inhibitor Inhibition 51.8
protein kinase C epsilon PKCε/PKCepsilon Hs Inhibitor Inhibition 52.4 58.0 23.0
protein kinase X-linked PrKX/PRKX Hs Inhibitor Inhibition 54.2 57.0 13.0
Displaying the top 10 targets  View all targets in screen »