Compound Detail
CHEMBL1562951
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Basic Information
| ChEMBL ID | CHEMBL1562951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEIOSAFYCBYSPX-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.16
ALogP
4
HBA
2
HBD
72.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
EC50 1 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.58 | 5.58 | 2619.0 | 1 |
| ES-2 CHEMBL5058622 | EC50 | 5.49 | 5.49 | 3234.0 | 1 |
| Plasmepsin II CHEMBL4414 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 2619.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-... | - |
| ES-2 | EC50 | = | 3234.0 | nM | 5.49 | Cytotoxicity against human ES2 cells after 72 hrs by InuCyte live cell imaging a... | - |
| Plasmepsin II | IC50 | = | 24000.0 | nM | 4.62 | Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 ... | 26670264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26670264 | 10.1021/acs.jmedchem.5b01558 | Plasmepsin II | 1 |
Data from ChEMBL 36 via Core Engine