Compound Detail
CHEMBL4522021
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Basic Information
| ChEMBL ID | CHEMBL4522021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCWUWMQIMGPXQR-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
2.43
ALogP
6
HBA
1
HBD
66.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
EC50 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase LATS1 CHEMBL6167 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
| Serine/threonine-protein kinase LATS2 CHEMBL5907 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
| Serine/threonine-protein kinase LATS CHEMBL4523992 | EC50 | 5.86 | 5.86 | 1390.0 | 1 |
| Serine/threonine-protein kinase LATS CHEMBL4523992 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase LATS1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human LATS1 kinase domain (589 to 1130 amino acids) incubated for ... | - |
| Serine/threonine-protein kinase LATS1 | IC50 | = | 4.0 | nM | 8.4 | LATS1 Biochemical Assay: Homogenous Time Resolved Fluorescence (HTRF) Assay: The... | - |
| Serine/threonine-protein kinase LATS2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human LATS2 kinase domain (553 to 1088 amino acids) incubated for ... | - |
| Serine/threonine-protein kinase LATS2 | IC50 | = | 8.0 | nM | 8.1 | LATS2 Biochemical Caliper Assay: Human LATS2 kinase domain protein was purchased... | - |
| Serine/threonine-protein kinase LATS | EC50 | = | 1390.0 | nM | 5.86 | Inhibition of LATS in human HaCaT cells assessed as reduction in YAP nuclear tra... | - |
| Serine/threonine-protein kinase LATS | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of LATS in human JHH5 cells assessed as reduction in YAP phosphorylat... | - |
Data from ChEMBL 36 via Core Engine