Compound Detail
CHEMBL4552799
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4552799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMMXJDXPWVTHQK-UKRRQHHQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
3.01
ALogP
6
HBA
2
HBD
85.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP/microtubule affinity-regulating kinase 3 CHEMBL5600 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP/microtubule affinity-regulating kinase 3 | IC50 | = | 2.4 | nM | 8.62 | Inhibition of full-length recombinant human GST-tagged MARK3 expressed in baculo... | 27491711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27491711 | 10.1016/j.bmcl.2016.02.003 | MAP/microtubule affinity-regulating kinase 3 | 1 |
| 27491711 | 10.1016/j.bmcl.2016.02.003 | ATP-dependent translocase ABCB1 | 1 |
| 27491711 | 10.1016/j.bmcl.2016.02.003 | ADMET | 1 |
| 27491711 | 10.1016/j.bmcl.2016.02.003 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine