Compound Detail
CHEMBL261644
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Basic Information
| ChEMBL ID | CHEMBL261644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOLMRFUGOINFDQ-MHWRWJLKSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
4.06
ALogP
5
HBA
1
HBD
54.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.96 | 6.5767 | 110.0 | 3 |
| Protein kinase C delta type CHEMBL2996 | Ki | 6.5 | 6.5 | 318.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B1 | Ki | = | 35.0 | nM | 7.46 | Inhibition of Cdk1/cyclin B1 | 18077363 |
| Unchecked | Ki | = | 110.0 | nM | 6.96 | Inhibition of Cdk1/cyclin A | 18077363 |
| Protein kinase C delta type | Ki | = | 318.0 | nM | 6.5 | Inhibition of PKCdelta | 18077363 |
| Unchecked | Ki | = | 340.0 | nM | 6.47 | Inhibition of Cdk2/ cyclin E | 18077363 |
| Unchecked | Ki | = | 497.0 | nM | 6.3 | Inhibition of SGK | 18077363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077363 | 10.1073/pnas.0708800104 | Unchecked | 5 |
| 18077363 | 10.1073/pnas.0708800104 | Protein kinase C delta type | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Protein kinase C alpha type | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | RAC-alpha serine/threonine-protein kinase | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Ephrin type-B receptor 3 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Tyrosine-protein kinase Fyn | 1 |
Data from ChEMBL 36 via Core Engine