Compound Detail
CHEMBL1765354
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C=C(C)CCC[C@]1(C)CCC[C@@H]2C1=CC[C@@H](C)[C@@]2(C)C[C@H](O)C1=CC(=O)O[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1765354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOYRNJIWPUZFBJ-CYHJRFMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
5.06
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 1 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of human Cdc25A | 21420867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21420867 | 10.1016/j.bmc.2011.02.047 | M-phase inducer phosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine