Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4637568

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
NC1=N[C@@]2([C@H]3C[C@@H]3NC(=O)c3ccc(F)cn3)COC[C@H]2CS1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4637568
Phase Preclinical
Structure Type MOL
InChI Key OWWIYTVWTQBRDL-FGAILIKWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
0.79
ALogP
6
HBA
2
HBD
89.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17FN4O2S
MW 336.39
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
31786008 10.1016/j.bmc.2019.115194 Beta-secretase 1 1
31786008 10.1016/j.bmc.2019.115194 Beta-secretase 2 1
31786008 10.1016/j.bmc.2019.115194 Cathepsin D 1

Data from ChEMBL 36 via Core Engine