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Compound Detail

CHEMBL250160

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CCS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccccc4)c(C(N)=O)cnc3c2)cc1

Basic Information

ChEMBL ID CHEMBL250160
Phase Preclinical
Structure Type MOL
InChI Key RWPAHQFWNOGVJI-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
4.54
ALogP
5
HBA
2
HBD
102.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O3S
MW 431.52
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.37

Activity Summary

IC50 3 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 6.7 6.7 200.0 1
NON-PROTEIN TARGET
CHEMBL3879801
IC50 6.1 6.1 800.0 1
NSO
CHEMBL615003
IC50 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17870531 10.1016/j.bmcl.2007.09.009 Macrophage colony-stimulating factor 1 receptor 1
17870531 10.1016/j.bmcl.2007.09.009 NON-PROTEIN TARGET 1
17870531 10.1016/j.bmcl.2007.09.009 NSO 1

Data from ChEMBL 36 via Core Engine