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Compound Detail

CHEMBL235870

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CC(OC(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235870
Phase Preclinical
Structure Type MOL
InChI Key YQNSNYJLKVSHGQ-TYJDENFWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.4
MW (Da)
3.80
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F5N3O4
MW 485.41
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.54

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17869099 10.1016/j.bmcl.2007.07.078 Gamma-secretase 1

Data from ChEMBL 36 via Core Engine