Compound Detail
CHEMBL4637312
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Basic Information
| ChEMBL ID | CHEMBL4637312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPAUGEUNCPBTAX-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
1.94
ALogP
8
HBA
1
HBD
101.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
EC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 7.59 | 7.59 | 25.4 | 1 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 6.6 | 6.6 | 249.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 25.0 | nM | 7.6 | Inhibition of Toxoplasma gondii full-length wild-type C-terminal His-tagged CDPK... | 32420739 |
| Calmodulin-domain protein kinase 1 | IC50 | = | 25.4 | nM | 7.59 | Inhibition Assay: Certain of the compounds prepared as described above were assa... | - |
| Toxoplasma gondii | EC50 | = | 249.0 | nM | 6.6 | Antiparasitic activity against 2F clone of type 1 Toxoplasma gondii RH tachyzoit... | 32420739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32420739 | 10.1021/acs.jmedchem.0c00419 | Unchecked | 1 |
| 32420739 | 10.1021/acs.jmedchem.0c00419 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine