RGB-286638   Click here for help

GtoPdb Ligand ID: 7744

Synonyms: RGB 286638 | RGB286638
Compound class: Synthetic organic
Comment: RGB-286638 is a multi-targeted kinase inhibitor. It inhibits transcriptional-type CDKs (cyclin dependent kinases) such as CDK9, to achieve an anti-multiple myeloma effect which is independent of p53 status [1], providing a proof of concept which could lead to the development of compounds with activity in p53 deleted multiple myeloma.
A Phase I safety and tolerability study, NCT01168882, was withdrawn from ClinicalTrials.gov (2012), although results of this study have been published.[2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 115.06
Molecular weight 545.28
XLogP 1.53
No. Lipinski's rules broken 0
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Canonical SMILES COCCN1CCN(CC1)Cc1ccc(cc1)c1n[nH]c2c1C(=O)c1c2cccc1NC(=O)NN1CCOCC1
Isomeric SMILES COCCN1CCN(CC1)Cc1ccc(cc1)c1n[nH]c2c1C(=O)c1c2cccc1NC(=O)NN1CCOCC1
InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
RGB 286638 | RGB286638
Database Links Click here for help
CAS Registry No. 784210-88-4
GtoPdb PubChem SID 223366077
PubChem CID 11285002
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