Compound Detail
CHEMBL261211
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Basic Information
| ChEMBL ID | CHEMBL261211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMRUGDIVOLSBBJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
3.33
ALogP
4
HBA
1
HBD
42.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase CHEMBL3984 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of Myt1 | 18077363 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of Chk1 | 18077363 |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of Cdk1/cyclin B | 18077363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 26 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase-like 1 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase 6 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 25 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase kinase 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type IV | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit gamma | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit beta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Unchecked | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1G | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1D | 1 |
| 18077363 | 10.1073/pnas.0708800104 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Jurkat | 1 |
| 18077363 | 10.1073/pnas.0708800104 | NON-PROTEIN TARGET | 1 |
| 18077363 | 10.1073/pnas.0708800104 | HUVEC | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Angiopoietin-1 receptor | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine