Compound Detail
CHEMBL189855
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Basic Information
| ChEMBL ID | CHEMBL189855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTFAHECOMVRYLS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
0.94
ALogP
8
HBA
3
HBD
146.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 45.0 | nM | 7.35 | Inhibition of Cyclin B-cyclin-dependent kinase 1 | 15974571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974571 | 10.1021/jm050267e | Cyclin-dependent kinase 1/cyclin B | 1 |
Data from ChEMBL 36 via Core Engine