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Compound Detail

CHEMBL272560

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CN1CCN(CCCNc2ncc3c(=O)c(C(N)=O)cn(-c4ccc5c(c4)CCC5)c3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272560
Phase Preclinical
Structure Type MOL
InChI Key UJRLDULLNVFNTH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
1.42
ALogP
8
HBA
2
HBD
109.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31N7O2
MW 461.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 5.75 5.75 1800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 1800.0 nM 5.75 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