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Compound Detail

CHEMBL272773

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NC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(NCCN3CCOCC3)ncc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272773
Phase Preclinical
Structure Type MOL
InChI Key DPUGIFATYUPFRA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
1.11
ALogP
8
HBA
2
HBD
115.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N6O3
MW 434.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 5.48 5.48 3300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 3300.0 nM 5.48 Inhibition of ATP-induced CSF1R autophosphorylation 18342505

Literature References

PubMed DOI Target Context # Activities
18342505 10.1016/j.bmcl.2008.02.070 Macrophage colony-stimulating factor 1 receptor 1
18342505 10.1016/j.bmcl.2008.02.070 Macrophage 1

Data from ChEMBL 36 via Core Engine