Compound Detail
CHEMBL77588
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Basic Information
| ChEMBL ID | CHEMBL77588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZEQOHMDRQUMMH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
2.60
ALogP
8
HBA
3
HBD
118.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 5.77 | 5.77 | 1703.0 | 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 | = | 1703.0 | nM | 5.77 | Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed... | 33026809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9632366 | 10.1021/jm970842h | Tubulin | 2 |
| 33026809 | 10.1021/acs.jnatprod.0c00516 | MAP kinase-interacting serine/threonine-protein kinase 2 | 2 |
| 9632366 | 10.1021/jm970842h | Panel NCI-60 (60 carcinoma cell lines) | 1 |
Data from ChEMBL 36 via Core Engine