Compound Detail
CHEMBL2030552
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 | CHEMBL2030552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRIJSCVHXQTNKX-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.23
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Ki 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.4 | 9.145 | 0.4 | 2 |
| Unchecked CHEMBL612545 | IC50 | 9.0 | 9.0 | 1.0 | 3 |
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 8.52 | 8.52 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.4 | nM | 9.4 | Inhibition of Cryptosporidium parvum CDPK1 by nonradioactive Kinaseglo luciferas... | 22369268 |
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibition of Cryptosporidium parvum CDPK1 using PLARTLSVAGLPGKK-OH as substrate | 24494061 |
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 1.0 | nM | 9.0 | Inhibition Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using a lumin... | - |
| Unchecked | Ki | = | 1.3 | nM | 8.89 | Inhibition of N-terminal hexaHis-tagged Toxoplasma gondii CDPK1 expressed in Esc... | 22369268 |
| Calmodulin-domain protein kinase 1 | IC50 | = | 3.0 | nM | 8.52 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using a lumin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22369268 | 10.1021/jm201725v | Unchecked | 2 |
| 22369268 | 10.1021/jm201725v | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 22369268 | 10.1021/jm201725v | Tyrosine-protein kinase ABL1 | 1 |
| 24494061 | 10.1021/ml400315s | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine