Compound Detail
CHEMBL86066
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Basic Information
| ChEMBL ID | CHEMBL86066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHDJEAZLMYPLGL-UHFFFAOYSA-N |
9
Targets
13
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.42
ALogP
7
HBA
3
HBD
87.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 9 meas. best 5.9
IC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5 CHEMBL4036 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Homeodomain-interacting protein kinase 4 CHEMBL1075167 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.7 | 5.365 | 2000.0 | 2 |
| Casein kinase I isoform delta CHEMBL2828 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| SRSF protein kinase 1 CHEMBL4375 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25937014 | 10.1016/j.bmcl.2015.04.030 | Unchecked | 2 |
| 10891109 | 10.1021/jm990506w | Cyclin-dependent kinase 1 | 1 |
| 10891109 | 10.1021/jm990506w | Cyclin-dependent kinase 2 | 1 |
| 9046330 | 10.1021/jm960666x | Cyclin-dependent kinase 1 | 1 |
| 24936234 | 10.1021/ml3002083 | Voltage-dependent N-type calcium channel subunit alpha-1B | 1 |
| 25937014 | 10.1016/j.bmcl.2015.04.030 | BJ | 1 |
| 36166733 | 10.1021/acs.jmedchem.2c00996 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine