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Compound Detail

CHEMBL4070849

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Cc1cc(-c2sc(Cc3cccc(F)c3)nc2C)ccc1C(N)=O

Basic Information

ChEMBL ID CHEMBL4070849
Phase Preclinical
Structure Type MOL
InChI Key OYAZLIIROJSWCO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
4.26
ALogP
3
HBA
1
HBD
56.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17FN2OS
MW 340.42
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.62

Activity Summary

EC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 52
CHEMBL3297639
EC50 6.58 6.58 260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28433511 10.1016/j.bmc.2017.03.064 G-protein coupled receptor 52 2

Data from ChEMBL 36 via Core Engine