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

CHEMBL248605

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
CC(C(=O)OCc1ccccc1)c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL248605
Phase Preclinical
Structure Type MOL
InChI Key VHXQZGKRDQETRR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

640.0
MW (Da)
8.57
ALogP
5
HBA
0
HBD
65.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H20ClF6NO4S
MW 640.00
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
17723298 10.1016/j.bmcl.2007.07.044 Gamma-secretase 3
17723298 10.1016/j.bmcl.2007.07.044 H4 1

Data from ChEMBL 36 via Core Engine