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Compound Detail

CHEMBL4751359

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COc1cc(OCc2ccnc(N)c2)cc2sc(N[C@@H]3CCCC[C@H]3O)nc12

Basic Information

ChEMBL ID CHEMBL4751359
Phase Preclinical
Structure Type MOL
InChI Key KTNPMQFOVMMEPF-HUUCEWRRSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
3.58
ALogP
8
HBA
3
HBD
102.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N4O3S
MW 400.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.51

Activity Summary

IC50 2 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.12 7.12 76.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
IC50 5.84 5.84 1455.0 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 2

Data from ChEMBL 36 via Core Engine