CC-223   

GtoPdb Ligand ID: 8914

Synonyms: compound 37 [PMID: 26083478] | onatasertib (proposed INN)
Compound class: Synthetic organic
Comment: CC-223 is an investigational inhibitor of the serine/threonine kinase, mechanistic target of rapamycin (mTOR) in mTORC1/2 complexes [1-2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 100.47
Molecular weight 397.21
XLogP 1.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COC1CCC(CC1)N1C(=O)CNc2c1nc(cn2)c1ccc(nc1)C(O)(C)C
Isomeric SMILES COC1CCC(CC1)N1C(=O)CNc2c1nc(cn2)c1ccc(nc1)C(O)(C)C
InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)
InChI Key UFKLYTOEMRFKAD-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
Synonyms
compound 37 [PMID: 26083478] | onatasertib (proposed INN)
Comments
CC-223 is an investigational inhibitor of the serine/threonine kinase, mechanistic target of rapamycin (mTOR) in mTORC1/2 complexes [1-2].
Database Links
GtoPdb PubChem SID 310264695
PubChem CID 58298316
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