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Compound Detail

CHEMBL249170

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COc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc23)cc1

Basic Information

ChEMBL ID CHEMBL249170
Phase Preclinical
Structure Type MOL
InChI Key FEJHAAZUNGXWER-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
4.15
ALogP
5
HBA
2
HBD
90.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N4O2
MW 370.41
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.00

Activity Summary

IC50 3 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.2 7.2 63.0 1
NON-PROTEIN TARGET
CHEMBL3879801
IC50 6.1 6.1 800.0 1
NSO
CHEMBL615003
IC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17870531 10.1016/j.bmcl.2007.09.009 Macrophage colony-stimulating factor 1 receptor 1
17870531 10.1016/j.bmcl.2007.09.009 NON-PROTEIN TARGET 1
17870531 10.1016/j.bmcl.2007.09.009 NSO 1

Data from ChEMBL 36 via Core Engine