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Compound Detail

CHEMBL398360

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N#Cc1ccc(C(=O)Nc2cc(COCC(O)CO)ccc2N2CCCCC2)o1

Basic Information

ChEMBL ID CHEMBL398360
Phase Preclinical
Structure Type MOL
InChI Key DAGZJURMWNMYCV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
2.26
ALogP
7
HBA
3
HBD
119.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3O5
MW 399.45
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.07

Activity Summary

IC50 2 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.72 7.245 19.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17904845 10.1016/j.bmcl.2007.09.057 Macrophage colony-stimulating factor 1 receptor 2

Data from ChEMBL 36 via Core Engine