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Compound Detail

CHEMBL519924

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COc1cc2c(Nc3ccc(Cl)c(Cl)c3)c(C(N)=O)cnc2cc1N1CCN(C)CC1

Basic Information

ChEMBL ID CHEMBL519924
Phase Preclinical
Structure Type MOL
InChI Key RHYLDPNFWOHTII-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

460.4
MW (Da)
4.14
ALogP
6
HBA
2
HBD
83.7
PSA (Ų)
0.60
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 C22H23Cl2N5O2
MW 460.37
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.45

Activity Summary

IC50 1 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 7.62 7.62 24.0 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 = 24.0 nM 7.62 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

Data from ChEMBL 36 via Core Engine