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Compound Detail

CHEMBL480618

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COc1cc2c(Nc3ccc(F)cc3F)c(C(N)=O)cnc2cc1N1CCN(C)CC1

Basic Information

ChEMBL ID CHEMBL480618
Phase Preclinical
Structure Type MOL
InChI Key LRFIHKNBXARJMM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
3.12
ALogP
6
HBA
2
HBD
83.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23F2N5O2
MW 427.46
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.96 7.96 11.0 1

Pharmacokinetic Data

Parameter Value Units Species
Fu - - -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 11.0 nM 7.96 Inhibition of CSF1R 19114305

Literature References

PubMed DOI Target Context # Activities
19114305 10.1016/j.bmcl.2008.12.044 Macrophage colony-stimulating factor 1 receptor 1
19114305 10.1016/j.bmcl.2008.12.044 NIH3T3 1
19114305 10.1016/j.bmcl.2008.12.044 No relevant target 1
19114305 10.1016/j.bmcl.2008.12.044 ADMET 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine