Compound Detail
CHEMBL4464441
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Basic Information
| ChEMBL ID | CHEMBL4464441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQDZLEIPLPPQBB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
344.3
MW (Da)
4.59
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase LATS1 CHEMBL6167 | IC50 | 8.35 | 8.35 | 4.5 | 2 |
| Serine/threonine-protein kinase LATS CHEMBL4523992 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase LATS1 | IC50 | = | 4.5 | nM | 8.35 | Inhibition of human LATS1 kinase domain (589 to 1130 amino acids) incubated for ... | - |
| Serine/threonine-protein kinase LATS1 | IC50 | = | 4.5 | nM | 8.35 | LATS1 Biochemical Caliper Assay: The LATS1 biochemical Caliper assay was perform... | - |
| Serine/threonine-protein kinase LATS | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of LATS in human JHH5 cells assessed as reduction in YAP phosphorylat... | - |
Data from ChEMBL 36 via Core Engine