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Compound Detail

CHEMBL517437

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O=C(Nc1ccc(Cl)c(C(=O)Nc2cncs2)c1)c1cccc(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL517437
Phase Preclinical
Structure Type MOL
InChI Key HGRYIDVIIWMVOJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names

Molecular Properties

425.8
MW (Da)
5.32
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11ClF3N3O2S
MW 425.82
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.97

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
IC50 8.52 8.52 3.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 58.0 mL.min-1.kg-1 Rattus norvegicus
F 40.0 % Rattus norvegicus
T1/2 1.2 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor IC50 = 3.0 nM 8.52 Inhibition of CSF1R 18694641

Literature References

PubMed DOI Target Context # Activities
18694641 10.1016/j.bmcl.2008.07.093 Rattus norvegicus 4
18694641 10.1016/j.bmcl.2008.07.093 Macrophage colony-stimulating factor 1 receptor 1
18694641 10.1016/j.bmcl.2008.07.093 NIH3T3 1
- 10.6019/CHEMBL3301361 ADMET 1

Data from ChEMBL 36 via Core Engine