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Compound Detail

CHEMBL1771165

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CN(C)c1ccc(-c2cn3c(n2)sc2cc(F)ccc23)cc1

Basic Information

ChEMBL ID CHEMBL1771165
Phase Preclinical
Structure Type MOL
InChI Key TVCIMIYSVZOTFR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
4.42
ALogP
4
HBA
0
HBD
20.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14FN3S
MW 311.39
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -2.34

Activity Summary

Ki 1 meas. best 7.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 7.37 7.37 42.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 42.9 nM 7.37 Displacement of [3H]BTA-1 from amyloid beta 1 to 40 by competitive binding assay 21458990

Literature References

PubMed DOI Target Context # Activities
21458990 10.1016/j.bmcl.2011.03.052 Unchecked 1

Data from ChEMBL 36 via Core Engine