Compound Detail
CHEMBL5173325
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Basic Information
| ChEMBL ID | CHEMBL5173325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBVDXLQZTHSFRO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
3.31
ALogP
7
HBA
1
HBD
68.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.05
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 5.3 | 5.3 | 4960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 9.0 | nM | 8.05 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... | 35229610 |
| Serine/threonine-protein kinase haspin | IC50 | = | 4960.0 | nM | 5.3 | Inhibition of human Haspin kinase domain using histone H3 biotin peptide as subs... | 35229610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35229610 | 10.1021/acs.jmedchem.1c01995 | Plasmodium falciparum | 1 |
| 35229610 | 10.1021/acs.jmedchem.1c01995 | Serine/threonine-protein kinase haspin | 1 |
Data from ChEMBL 36 via Core Engine