Compound Detail
CHEMBL4516891
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Basic Information
| ChEMBL ID | CHEMBL4516891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJZWOIOOUCIALF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
250.6
MW (Da)
1.05
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein S100-A4 CHEMBL2362976 | EC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein S100-A4 | EC50 | = | 9000.0 | nM | 5.05 | Binding affinity to S100A4 (unknown origin) assessed as inhibition of S100A4/myo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27663546 | 10.1016/j.bmc.2016.09.028 | Matrix protein P17 | 2 |
| 27663546 | 10.1016/j.bmc.2016.09.028 | No relevant target | 1 |
| 27663546 | 10.1016/j.bmc.2016.09.028 | HEK-293T | 1 |
| 27663546 | 10.1016/j.bmc.2016.09.028 | MT4 | 1 |
| 27663546 | 10.1016/j.bmc.2016.09.028 | CEM-SS | 1 |
Data from ChEMBL 36 via Core Engine