Compound Detail
CHEMBL435707
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Basic Information
| ChEMBL ID | CHEMBL435707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZKJCVBEHCXRSI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
3.20
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of starfish CDK1/cyclin B in presence of 15 uM ATP | 16854069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761195 | 10.1021/jm031016d | Cyclin-dependent kinase 1/cyclin B | 1 |
| 14761195 | 10.1021/jm031016d | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 14761195 | 10.1021/jm031016d | Glycogen synthase kinase-3 | 1 |
| 16854069 | 10.1021/jm060314i | SH-SY5Y | 1 |
| 16854069 | 10.1021/jm060314i | Glycogen synthase kinase-3 | 1 |
| 16854069 | 10.1021/jm060314i | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 16854069 | 10.1021/jm060314i | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine