Compound Detail
CHEMBL4635640
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4635640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGAFJEFFAKEDIP-KYZUINATSA-N |
3
Targets
3
Activities
2
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.7
MW (Da)
2.92
ALogP
7
HBA
1
HBD
91.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
EC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 7.94 | 7.94 | 11.4 | 1 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 7.28 | 7.28 | 53.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1267 | hr | Mus musculus |
| T1/2 | 0.8333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Toxoplasma gondii full-length wild-type C-terminal His-tagged CDPK... | 32420739 |
| Calmodulin-domain protein kinase 1 | IC50 | = | 11.4 | nM | 7.94 | Inhibition Assay: Certain of the compounds prepared as described above were assa... | - |
| Toxoplasma gondii | EC50 | = | 53.0 | nM | 7.28 | 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 | ADMET | 2 |
| 32420739 | 10.1021/acs.jmedchem.0c00419 | Unchecked | 1 |
| 32420739 | 10.1021/acs.jmedchem.0c00419 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine