Compound Detail
CHEMBL2012392
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C[C@H]1C/C=C/[C@H]2OC(C)(C)O[C@H]2CC/C=C/c2cc(O)cc(O)c2C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL2012392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RATBTQWBKSYHAA-KBNFMYKHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.92
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 580.0 | nM | 6.24 | Inhibition of MNK2 using 5-FAM-TATKSGSTTKNRFVV-NH2 as substrate preincubated for... | 24900361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900361 | 10.1021/ml200067t | Cyclin-dependent kinase 2/cyclin A | 2 |
| 24900361 | 10.1021/ml200067t | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine