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Compound Detail

CHEMBL182609

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CSc1scc(-c2ccc(F)cc2)c1Br

Basic Information

ChEMBL ID CHEMBL182609
Phase Preclinical
Structure Type MOL
InChI Key FVWCSGWQJTXOSQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.2
MW (Da)
5.04
ALogP
2
HBA
0
HBD
0.0
PSA (Ų)
0.70
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H8BrFS2
MW 303.22
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.47

Activity Summary

EC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Haemonchus contortus
CHEMBL613144
EC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Haemonchus contortus EC50 = 17000.0 nM 4.77 In vitro anthelmintic activity against Haemonchus contortus after 24 hr of incub... 15225722

Literature References

PubMed DOI Target Context # Activities
15225722 10.1016/j.bmcl.2004.05.044 Haemonchus contortus 2

Data from ChEMBL 36 via Core Engine