Ro-32-0432   Click here for help

GtoPdb Ligand ID: 6034

Synonyms: Ro 32-0432 | Ro-320432
Compound class: Synthetic organic
Comment: Ro-32-0432 is a cell-permeable selective inhibitor of protein kinase C (PKC).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 59.27
Molecular weight 452.22
XLogP 5.11
No. Lipinski's rules broken 1
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Canonical SMILES CN(CC1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(c3c1cccc3)C)c1c2cccc1)C
Isomeric SMILES CN(C[C@H]1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(c3c1cccc3)C)c1c2cccc1)C
InChI InChI=1S/C28H28N4O2/c1-30(2)15-17-12-13-32-22-11-7-5-9-19(22)24(23(32)14-17)26-25(27(33)29-28(26)34)20-16-31(3)21-10-6-4-8-18(20)21/h4-11,16-17H,12-15H2,1-3H3,(H,29,33,34)/t17-/m0/s1
1. Anastassiadis T, Deacon SW, Devarajan K, Ma H, Peterson JR. (2011)
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.
Nat Biotechnol, 29 (11): 1039-45. [PMID:22037377]
2. Birchall AM, Bishop J, Bradshaw D, Cline A, Coffey J, Elliott LH, Gibson VM, Greenham A, Hallam TJ, Harris W et al.. (1994)
Ro 32-0432, a selective and orally active inhibitor of protein kinase C prevents T-cell activation.
J Pharmacol Exp Ther, 268 (2): 922-9. [PMID:8114006]
3. Gao Y, Davies SP, Augustin M, Woodward A, Patel UA, Kovelman R, Harvey KJ. (2013)
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.
Biochem J, 451 (2): 313-28. [PMID:23398362]
4. Wilkinson SE, Parker PJ, Nixon JS. (1993)
Isoenzyme specificity of bisindolylmaleimides, selective inhibitors of protein kinase C.
Biochem J, 294 ( Pt 2): 335-7. [PMID:8373348]