torin 1   Click here for help

GtoPdb Ligand ID: 8004

Synonyms: Torin-1 | Torin1
Compound class: Synthetic organic
Comment: Torin 1 is a potent inhibitor of mTOR in both mTOR containing protein complexes, mTORC1 and mTORC2. The discovery of torin 1 is described in [1], where it is compound 37.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 70.81
Molecular weight 607.22
XLogP 7.29
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)n1c(=O)ccc2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2
Isomeric SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)n1c(=O)ccc2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2
InChI InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3
Bioactivity Comments
In assays using immuno-purified mTORC1 and mTORC2, torin 1 has an IC50 value of 2-10nM [2].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
mechanistic target of rapamycin kinase Primary target of this compound Hs Inhibitor Inhibition 9.5 pIC50 - 1
pIC50 9.5 (IC50 2.9x10-10 M) [1]
Description: Assayed using mTORC1 complex