Compound Detail
CHEMBL446577
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Basic Information
| ChEMBL ID | CHEMBL446577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VESAEBPYWXQZFC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
3.57
ALogP
5
HBA
1
HBD
60.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 4.38 | 4.38 | 41900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 41900.0 | nM | 4.38 | PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18023932 | 10.1016/j.ejmech.2007.10.008 | SK-HEP1 | 1 |
| 18023932 | 10.1016/j.ejmech.2007.10.008 | MDA-MB-231 | 1 |
| 18023932 | 10.1016/j.ejmech.2007.10.008 | NUGC-3 | 1 |
| 18023932 | 10.1016/j.ejmech.2007.10.008 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine