Compound Detail
CHEMBL1765356
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@](C)(C[C@H](O)C3=CC(=O)OC3O)CCC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL1765356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSDANYFQRXTLHP-KUFFGVEESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
5.22
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 | IC50 | = | 440.0 | nM | 6.36 | Inhibition of human Cdc25A | 21420867 |
| M-phase inducer phosphatase 2 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human Cdc25B | 21420867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21420867 | 10.1016/j.bmc.2011.02.047 | M-phase inducer phosphatase 1 | 1 |
| 21420867 | 10.1016/j.bmc.2011.02.047 | M-phase inducer phosphatase 2 | 1 |
Data from ChEMBL 36 via Core Engine