Y27632   

GtoPdb Ligand ID: 5290

Synonyms: ROCK Inhibitor, Y-27632 | Y-27632
Compound class: Synthetic organic
Comment: We represent the compound as drawn in the article by Wu et al (2010) [5]. Note that the PubChem entry for this compound is missing stereochemistry.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 68.01
Molecular weight 247.17
XLogP 0.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(C1CCC(CC1)C(=O)Nc1ccncc1)N
Isomeric SMILES C[C@H]([C@@H]1CC[C@H](CC1)C(=O)Nc1ccncc1)N
InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
InChI Key IYOZTVGMEWJPKR-IJLUTSLNSA-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 26.3 19.0 4.0
Rho associated coiled-coil containing protein kinase 1 ROCK-I/ROCK1 Hs Inhibitor Inhibition 31.5 77.0 31.0
protein kinase C epsilon PKCε/PKCepsilon Hs Inhibitor Inhibition 40.2 48.0 12.0
protein kinase N1 nd/PKN1(PRK1) Hs Inhibitor Inhibition 41.7
protein kinase C eta PKCη/PKCeta Hs Inhibitor Inhibition 54.5 71.0 31.0
PDZ binding kinase nd/PBK(TOPK) Hs Inhibitor Inhibition 56.7
unc-51 like autophagy activating kinase 1 nd/ULK1 Hs Inhibitor Inhibition 59.3
protein kinase N2 PRK2/PKN2(PRK2) Hs Inhibitor Inhibition 59.7 16.0 4.0
protein kinase X-linked PrKX/PRKX Hs Inhibitor Inhibition 63.3 72.0 24.0
protein kinase C delta PKCδ/PKCd Hs Inhibitor Inhibition 66.4 97.0 96.0
Displaying the top 10 targets  View all targets in screen »