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Compound Detail

CHEMBL257154

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N#Cc1cnc(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCCC2)[nH]1

Basic Information

ChEMBL ID CHEMBL257154
Phase Preclinical
Structure Type MOL
InChI Key XPCQXAQALLRVJQ-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
3.96
ALogP
4
HBA
3
HBD
93.6
PSA (Ų)
0.75
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 C22H25N5O
MW 375.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.37

Activity Summary

IC50 4 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 9.0 9.0 1.0 1
ADMET
CHEMBL612558
IC50 9.0 9.0 1.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 7.15 7.15 71.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20570147 10.1016/j.bmcl.2010.05.013 ADMET 6
18495479 10.1016/j.bmcl.2008.04.059 Macrophage colony-stimulating factor 1 receptor 1
18495479 10.1016/j.bmcl.2008.04.059 ADMET 1
18495479 10.1016/j.bmcl.2008.04.059 Liver 1

Data from ChEMBL 36 via Core Engine