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Compound Detail

CHEMBL5561172

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CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN([11CH3])CC1

Basic Information

ChEMBL ID CHEMBL5561172
Phase Preclinical
Structure Type MOL
InChI Key IBHNEKVLDKCEQY-JVVVGQRLSA-N
Parent Compound CHEMBL481806
Active Moiety CHEMBL481806
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.51
ALogP
6
HBA
2
HBD
83.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25F2N5O2
MW 440.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.66

Activity Summary

IC50 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 6.0 nM 8.22 Inhibition of CSF1R (unknown origin) 38330850

Literature References

PubMed DOI Target Context # Activities
38330850 10.1016/j.bmc.2024.117628 Macrophage colony-stimulating factor 1 receptor 1

Data from ChEMBL 36 via Core Engine