Compound Detail
CHEMBL3108988
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 | CHEMBL3108988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMRJGZZXICFMIU-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
2.79
ALogP
4
HBA
2
HBD
86.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 8.15 | 8.15 | 7.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of Toxoplasma gondii CDPK1 using PLARTLSVAGLPGKK-OH as substrate | 24494061 |
| Calmodulin-domain protein kinase 1 | IC50 | = | 7.0 | nM | 8.15 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 7.0 | nM | 8.15 | Inhibition Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using a lumin... | - |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Cryptosporidium parvum CDPK1 using PLARTLSVAGLPGKK-OH as substrate | 24494061 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using a lumin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24494061 | 10.1021/ml400315s | Unchecked | 1 |
| 24494061 | 10.1021/ml400315s | Calmodulin-domain protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine