KU-0063794   Click here for help

GtoPdb Ligand ID: 9360

Synonyms: KU-63794 | KU0063794
Compound class: Synthetic organic
Comment: KU-0063794 is a selective inhibitor of mammalian target of rapamycin (mTOR) [1]. It inhibits both mTORC1 and mTORC2 with an IC50 of ~10 nM.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 93.07
Molecular weight 465.24
XLogP 3.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1CO)c1ccc2c(n1)nc(nc2N1CCOCC1)N1CC(C)OC(C1)C
Isomeric SMILES COc1ccc(cc1CO)c1ccc2c(n1)nc(nc2N1CCOCC1)N1C[C@H](C)O[C@@H](C1)C
InChI InChI=1S/C25H31N5O4/c1-16-13-30(14-17(2)34-16)25-27-23-20(24(28-25)29-8-10-33-11-9-29)5-6-21(26-23)18-4-7-22(32-3)19(12-18)15-31/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17+
InChI Key RFSMUFRPPYDYRD-CALCHBBNSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylpyrido[5,6-e]pyrimidin-7-yl]-2-methoxyphenyl]methanol
Synonyms Click here for help
KU-63794 | KU0063794
Database Links Click here for help
BindingDB Ligand 50310989
CAS Registry No. 938440-64-3 (source: PubChem)
ChEMBL Ligand CHEMBL1078983
GtoPdb PubChem SID 328083462
PubChem CID 16736978
Search Google for chemical match using the InChIKey RFSMUFRPPYDYRD-CALCHBBNSA-N
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UniChem Compound Search for chemical match using the InChIKey RFSMUFRPPYDYRD-CALCHBBNSA-N
UniChem Connectivity Search for chemical match using the InChIKey RFSMUFRPPYDYRD-CALCHBBNSA-N

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Tocris
KU 0063794
Cat. No. 3725