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Compound Detail

CHEMBL265433

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Cc1sccc1-c1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(C#N)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL265433
Phase Preclinical
Structure Type MOL
InChI Key ZWRCMAAVANOLOT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
4.19
ALogP
6
HBA
1
HBD
72.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O2S
MW 406.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.68

Activity Summary

IC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 6.03 6.03 940.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 940.0 nM 6.03 Inhibition of FMS 18495479

Literature References

PubMed DOI Target Context # Activities
18495479 10.1016/j.bmcl.2008.04.059 Macrophage colony-stimulating factor 1 receptor 1

Data from ChEMBL 36 via Core Engine