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Compound Detail

CHEMBL3086168

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N#Cc1c[nH]c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C2=CCCCC2)n1

Basic Information

ChEMBL ID CHEMBL3086168
Phase Preclinical
Structure Type MOL
InChI Key WVMMRGLYZXMLHY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
2.51
ALogP
6
HBA
2
HBD
128.2
PSA (Ų)
0.73
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 C21H23N5O4S
MW 441.51
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.58

Activity Summary

IC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.0 8.0 10.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
IC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24138939 10.1016/j.bmcl.2013.09.061 Macrophage colony-stimulating factor 1 receptor 2

Data from ChEMBL 36 via Core Engine