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Compound Detail

CHEMBL399763

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CN1CCN(c2ccc(NC(=O)c3cc(C#N)c[nH]3)c(N3CCCCC3)c2)CC1

Basic Information

ChEMBL ID CHEMBL399763
Phase Preclinical
Structure Type MOL
InChI Key NZRFILSWDBFAQV-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
2.88
ALogP
5
HBA
2
HBD
78.4
PSA (Ų)
0.84
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 C22H28N6O
MW 392.51
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.60

Activity Summary

IC50 3 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.77 8.735 1.7 2
Macrophage
CHEMBL612578
IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18242992 10.1016/j.bmcl.2008.01.059 Macrophage colony-stimulating factor 1 receptor 1
18242992 10.1016/j.bmcl.2008.01.059 Macrophage 1
22039836 10.1021/jm200900q Macrophage colony-stimulating factor 1 receptor 1

Data from ChEMBL 36 via Core Engine