torin 2   Click here for help

GtoPdb Ligand ID: 8839

Synonyms: compound 3 [1] | Torin-2 | torin2
PDB Ligand
Compound class: Synthetic organic
Comment: Torin 2 is reported as a potent and selective inhibitor of the serine/threonine kinase, mTOR (mechanistic target of rapamycin) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 73.28
Molecular weight 432.12
XLogP 5.83
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Nc1ccc(cn1)c1ccc2c(c1)c1c(cn2)ccc(=O)n1c1cccc(c1)C(F)(F)F
Isomeric SMILES Nc1ccc(cn1)c1ccc2c(c1)c1c(cn2)ccc(=O)n1c1cccc(c1)C(F)(F)F
InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
InChI Key GUXXEUUYCAYESJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
Synonyms Click here for help
compound 3 [1] | Torin-2 | torin2
Database Links Click here for help
CAS Registry No. 1223001-51-1 (source: PubChem)
ChEMBL Ligand CHEMBL1765602
GtoPdb PubChem SID 252827496
PubChem CID 51358113
RCSB PDB Ligand 17G
Search Google for chemical match using the InChIKey GUXXEUUYCAYESJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GUXXEUUYCAYESJ
Search UniChem for chemical match using the InChIKey GUXXEUUYCAYESJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone GUXXEUUYCAYESJ
SynPHARM 82891 (in complex with mechanistic target of rapamycin)

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Tocris
Torin 2
Cat. No. 4248