Compound Detail
CHEMBL4453243
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Basic Information
| ChEMBL ID | CHEMBL4453243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CELWQJHESXUCFF-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.78
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
EC50 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase LATS1 CHEMBL6167 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
| Serine/threonine-protein kinase LATS CHEMBL4523992 | IC50 | 6.22 | 6.22 | 606.0 | 1 |
| Serine/threonine-protein kinase LATS CHEMBL4523992 | EC50 | 5.35 | 5.35 | 4440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase LATS1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human LATS1 kinase domain (589 to 1130 amino acids) incubated for ... | - |
| Serine/threonine-protein kinase LATS1 | IC50 | = | 10.0 | nM | 8.0 | LATS1 Biochemical Assay: Homogenous Time Resolved Fluorescence (HTRF) Assay: The... | - |
| Serine/threonine-protein kinase LATS | IC50 | = | 606.0 | nM | 6.22 | Inhibition of LATS in human HaCaT cells assessed as reduction in YAP phosphoryla... | - |
| Serine/threonine-protein kinase LATS | EC50 | = | 4440.0 | nM | 5.35 | Inhibition of LATS in human HaCaT cells assessed as reduction in YAP nuclear tra... | - |
Data from ChEMBL 36 via Core Engine