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Compound Detail

CHEMBL251602

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CC1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1

Basic Information

ChEMBL ID CHEMBL251602
Phase Preclinical
Structure Type MOL
InChI Key ZBWQNLDDTPCSDQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.68
ALogP
5
HBA
1
HBD
88.6
PSA (Ų)
0.68
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 C17H19N3O4
MW 329.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.94

Activity Summary

IC50 2 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.11 6.815 78.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17904845 10.1016/j.bmcl.2007.09.057 Macrophage colony-stimulating factor 1 receptor 2
17904845 10.1016/j.bmcl.2007.09.057 Liver microsomes 1

Data from ChEMBL 36 via Core Engine