SBP-7455   Click here for help

GtoPdb Ligand ID: 11340

Synonyms: compound 26 [PMID: 33200929] | SBP7455
Compound class: Synthetic organic
Comment: SBP-7455 is a dual ULK1/2 inhibitor [1]. It inhibits ULK-regulated autophagy, and synergises with the PARP inhibitor olaparib to block proliferation of triple-negative breast cancer cells in vitro. UKL1 and -2 are the only serine/threonine (S/T) kinases in the core autophagy pathway, and they are considered to be relevant druggable targets based on their participation at the first committed step towards autophagy. Because tumours can become addicted to autophagy for survival, inhibition of the autophagy pathway has been examined as a novel approach to cancer therapy that might be applicable across a broad range of cancer types.
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 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 68.3
Molecular weight 354.13
XLogP 3.07
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1cc(ccc1OC)Nc1ncc(c(n1)NC1CC1)C(F)(F)F
Isomeric SMILES COc1cc(ccc1OC)Nc1ncc(c(n1)NC1CC1)C(F)(F)F
InChI InChI=1S/C16H17F3N4O2/c1-24-12-6-5-10(7-13(12)25-2)22-15-20-8-11(16(17,18)19)14(23-15)21-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,20,21,22,23)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 26 [PMID: 33200929] | SBP7455
Database Links Click here for help
BindingDB Ligand 379450
GtoPdb PubChem SID 440816709
PubChem CID 132178569
Search Google for chemical match using the InChIKey BQROJYIEHOOQBY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BQROJYIEHOOQBY
UniChem Compound Search for chemical match using the InChIKey BQROJYIEHOOQBY-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BQROJYIEHOOQBY-UHFFFAOYSA-N