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Compound Detail

CHEMBL4745859

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c1cncc(COc2ccc3nc(NC4CCCCC4)sc3c2)c1

Basic Information

ChEMBL ID CHEMBL4745859
Phase Preclinical
Structure Type MOL
InChI Key CRDBSKIKQFDJCG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.5
MW (Da)
5.01
ALogP
5
HBA
1
HBD
47.0
PSA (Ų)
0.71
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3OS
MW 339.46
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.90

Activity Summary

IC50 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 6.11 6.11 781.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32787110 10.1021/acs.jmedchem.0c00936 Macrophage colony-stimulating factor 1 receptor 1

Data from ChEMBL 36 via Core Engine