torin 1   

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.
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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
InChI Key AKCRNFFTGXBONI-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
Synonyms
Torin-1 | Torin1
Database Links
CAS Registry No. 1222998-36-8
ChEMBL Ligand CHEMBL1256459
GtoPdb PubChem SID 249565684
PubChem CID 49836027
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Tocris
Torin 1
Cat. No. 4247