Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4783368

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc(OCc2ccnc(Nc3cccnc3)n2)cc2sc(N[C@H]3CCCC[C@@H]3O)nc12

Basic Information

ChEMBL ID CHEMBL4783368
Phase Preclinical
Structure Type MOL
InChI Key AHQHOYXMLVDGGM-OALUTQOASA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
4.53
ALogP
10
HBA
3
HBD
114.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N6O3S
MW 478.58
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.33

Activity Summary

IC50 2 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 6.2 6.2 626.0 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL5570
IC50 5.6 5.6 2511.0 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
32787110 10.1021/acs.jmedchem.0c00936 ADMET 2

Data from ChEMBL 36 via Core Engine