Compound Detail
CHEMBL491218
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Basic Information
| ChEMBL ID | CHEMBL491218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XATVOMBATOYURF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
2.16
ALogP
4
HBA
1
HBD
71.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.41
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.38 | 5.38 | 4130.0 | 1 |
| Protein S100-A4 CHEMBL2362976 | EC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| M-phase inducer phosphatase 2 | IC50 | = | 4130.0 | nM | 5.38 | Inhibition of human recombinant CDC25B | 18789703 |
| Protein S100-A4 | EC50 | = | 39000.0 | nM | 4.41 | Binding affinity to S100A4 (unknown origin) assessed as inhibition of S100A4/myo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18789703 | 10.1016/j.bmc.2008.08.009 | M-phase inducer phosphatase 2 | 1 |
Data from ChEMBL 36 via Core Engine