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Compound Detail

CHEMBL462132

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Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462132
Phase Preclinical
Structure Type MOL
InChI Key IKCLEONCNGHCMG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
20
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
5.63
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.55
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 C19H13ClF3N3O2S
MW 439.85
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.00

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 IC50 8.15 8.15 7.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 13.0 mL.min-1.kg-1 Rattus norvegicus
F 62.0 % 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 = 7.0 nM 8.15 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 Mus musculus 2
18694641 10.1016/j.bmcl.2008.07.093 Macrophage colony-stimulating factor 1 receptor 2
18694641 10.1016/j.bmcl.2008.07.093 Glycogen synthase kinase-3 beta 1
18694641 10.1016/j.bmcl.2008.07.093 Tyrosine-protein kinase JAK2 1
18694641 10.1016/j.bmcl.2008.07.093 Inhibitor of nuclear factor kappa-B kinase subunit beta 1
- 10.6019/CHEMBL3301361 ADMET 1
18694641 10.1016/j.bmcl.2008.07.093 Fibroblast growth factor receptor 1 1
18694641 10.1016/j.bmcl.2008.07.093 Hepatocyte growth factor receptor 1
18694641 10.1016/j.bmcl.2008.07.093 Insulin receptor 1
18694641 10.1016/j.bmcl.2008.07.093 Insulin-like growth factor 1 receptor 1
18694641 10.1016/j.bmcl.2008.07.093 Cyclin-dependent kinase 2 1
18694641 10.1016/j.bmcl.2008.07.093 Mast/stem cell growth factor receptor Kit 1
18694641 10.1016/j.bmcl.2008.07.093 Platelet-derived growth factor receptor beta 1
18694641 10.1016/j.bmcl.2008.07.093 Vascular endothelial growth factor receptor 2 1
18694641 10.1016/j.bmcl.2008.07.093 Proto-oncogene tyrosine-protein kinase Src 1
18694641 10.1016/j.bmcl.2008.07.093 RAF proto-oncogene serine/threonine-protein kinase 1
18694641 10.1016/j.bmcl.2008.07.093 Tyrosine-protein kinase Fyn 1
18694641 10.1016/j.bmcl.2008.07.093 Tyrosine-protein kinase HCK 1
18694641 10.1016/j.bmcl.2008.07.093 Ephrin type-A receptor 2 1

Data from ChEMBL 36 via Core Engine