Compound Detail
CHEMBL4447080
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Basic Information
| ChEMBL ID | CHEMBL4447080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKGSKEKFMDASMJ-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.24
ALogP
6
HBA
2
HBD
89.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
EC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase LATS1 CHEMBL6167 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
| Serine/threonine-protein kinase LATS CHEMBL4523992 | IC50 | 5.82 | 5.675 | 1500.0 | 2 |
| Serine/threonine-protein kinase LATS CHEMBL4523992 | EC50 | 4.82 | 4.82 | 15290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase LATS1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human LATS1 kinase domain (589 to 1130 amino acids) incubated for ... | - |
| Serine/threonine-protein kinase LATS1 | IC50 | = | 2.0 | nM | 8.7 | LATS1 Biochemical Assay: Homogenous Time Resolved Fluorescence (HTRF) Assay: The... | - |
| Serine/threonine-protein kinase LATS | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of LATS in human JHH5 cells assessed as reduction in YAP phosphorylat... | - |
| Serine/threonine-protein kinase LATS | IC50 | = | 2970.0 | nM | 5.53 | Inhibition of LATS in human HaCaT cells assessed as reduction in YAP phosphoryla... | - |
| Serine/threonine-protein kinase LATS | EC50 | = | 15290.0 | nM | 4.82 | Inhibition of LATS in human HaCaT cells assessed as reduction in YAP nuclear tra... | - |
Data from ChEMBL 36 via Core Engine