Compound Detail
CHEMBL2030557
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Basic Information
| ChEMBL ID | CHEMBL2030557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJXWCQDGZRUXDN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.9
MW (Da)
3.21
ALogP
6
HBA
3
HBD
97.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.05 | 7.785 | 9.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 9.0 | nM | 8.05 | Inhibition of N-terminal hexaHis-tagged Toxoplasma gondii CDPK1 expressed in Esc... | 22369268 |
| Unchecked | Ki | = | 30.0 | nM | 7.52 | Inhibition of Cryptosporidium parvum CDPK1 by nonradioactive Kinaseglo luciferas... | 22369268 |
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 |
Data from ChEMBL 36 via Core Engine