nirogacestat   Click here for help

GtoPdb Ligand ID: 7746

Synonyms: PF-03084014 | PF3084014 | Z-3181
Compound class: Synthetic organic
Comment: Nirogacestat (PF-3084014) is compound 14f in [1] where it is described as a centrally active γ-secretase inhibitor. PF-3084014 also acts as an inhibitor of the NOTCH signalling pathway, and can promote cell cycle arrest and induce apoptosis in leukemia cells [3]. As such, it was predicted to enable improved efficacy of the standard chemotherapy used in chronic lymphocytic leukemia (CLL) treatment [2].
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 5
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 70.98
Molecular weight 489.33
XLogP 5.14
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCCC(C(=O)Nc1ncn(c1)C(CNCC(C)(C)C)(C)C)NC1CCc2c(C1)c(F)cc(c2)F
Isomeric SMILES CCC[C@@H](C(=O)Nc1ncn(c1)C(CNCC(C)(C)C)(C)C)N[C@H]1CCc2c(C1)c(F)cc(c2)F
InChI InChI=1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1
InChI Key VFCRKLWBYMDAED-REWPJTCUSA-N
No information available.
Summary of Clinical Use Click here for help
This compound was assessed in clinical trials for the treatment of several types of cancer, reaching Phase 2. Click here to view the full list of PF-03084014 trials registered with ClinicalTrials.gov. A number of PF-03084014 clinical trials appear to have been stopped or withdrawn, apparently for business reasons. Notes against these trials state that there were no safety/efficacy concerns behind the decisions.