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Compound Detail

CHEMBL490085

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Oc1cc(O)c2sc(-c3ccc(F)cc3)nc2c1

Basic Information

ChEMBL ID CHEMBL490085
Phase Preclinical
Structure Type MOL
InChI Key OTLZQFQXGJUPOE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
3.51
ALogP
4
HBA
2
HBD
53.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8FNO2S
MW 261.28
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.03

Activity Summary

Ki 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 6.11 6.11 776.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19216563 10.1021/jm8013376 Amyloid-beta precursor protein 1
19216563 10.1021/jm8013376 No relevant target 1

Data from ChEMBL 36 via Core Engine