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Compound Detail

CHEMBL438533

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CC1CCN(c2cc(C3CCNCC3)ccc2NC(=O)c2ccc(C#N)o2)CC1

Basic Information

ChEMBL ID CHEMBL438533
Phase Preclinical
Structure Type MOL
InChI Key WRQHIXFOIZGJDI-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
4.11
ALogP
5
HBA
2
HBD
81.3
PSA (Ų)
0.82
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 C23H28N4O2
MW 392.50
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.14

Activity Summary

IC50 2 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 9.52 9.52 0.3 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18495479 10.1016/j.bmcl.2008.04.059 Macrophage colony-stimulating factor 1 receptor 1
22039836 10.1021/jm200900q Macrophage colony-stimulating factor 1 receptor 1

Data from ChEMBL 36 via Core Engine