Compound Detail
CHEMBL2147535
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Basic Information
| ChEMBL ID | CHEMBL2147535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHLONFVVTLRHIZ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
1.46
ALogP
6
HBA
2
HBD
89.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase LATS1 CHEMBL6167 | IC50 | 8.42 | 8.42 | 3.8 | 2 |
| Protein kinase C eta type CHEMBL3616 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 6.99 | 6.99 | 102.0 | 1 |
| Serine/threonine-protein kinase LATS CHEMBL4523992 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase LATS1 | IC50 | = | 3.8 | nM | 8.42 | Inhibition of human LATS1 kinase domain (589 to 1130 amino acids) incubated for ... | - |
| Serine/threonine-protein kinase LATS1 | IC50 | = | 3.8 | nM | 8.42 | LATS1 Biochemical Caliper Assay: The LATS1 biochemical Caliper assay was perform... | - |
| Protein kinase C eta type | IC50 | = | 27.0 | nM | 7.57 | Inhibition of recombinant human PKCeta assessed as [33P]-ATP incorporation into ... | 22078216 |
| Protein kinase C epsilon type | IC50 | = | 38.0 | nM | 7.42 | Inhibition of recombinant human PKCepsilon assessed as [33P]-ATP incorporation i... | 22078216 |
| Protein kinase C delta type | IC50 | = | 102.0 | nM | 6.99 | Inhibition of recombinant human PKCdelta assessed as [33P]-ATP incorporation int... | 22078216 |
| Serine/threonine-protein kinase LATS | IC50 | = | 7800.0 | nM | 5.11 | Inhibition of LATS in human JHH5 cells assessed as reduction in YAP phosphorylat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22078216 | 10.1016/j.bmcl.2011.10.025 | Protein kinase C alpha type | 1 |
| 22078216 | 10.1016/j.bmcl.2011.10.025 | Protein kinase C beta type | 1 |
| 22078216 | 10.1016/j.bmcl.2011.10.025 | Protein kinase C delta type | 1 |
| 22078216 | 10.1016/j.bmcl.2011.10.025 | Protein kinase C epsilon type | 1 |
| 22078216 | 10.1016/j.bmcl.2011.10.025 | Protein kinase C eta type | 1 |
| 22078216 | 10.1016/j.bmcl.2011.10.025 | Protein kinase C theta type | 1 |
Data from ChEMBL 36 via Core Engine