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Compound Detail

CHEMBL250572

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Cc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc23)cc1F

Basic Information

ChEMBL ID CHEMBL250572
Phase Preclinical
Structure Type MOL
InChI Key IHQODTCVAUFQPI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
4.60
ALogP
5
HBA
2
HBD
102.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20FN3O3S
MW 449.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.57

Activity Summary

IC50 2 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.2 7.2 63.0 1
NON-PROTEIN TARGET
CHEMBL3879801
IC50 5.5 5.5 3200.0 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