Compound Detail
CHEMBL2030558
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Basic Information
| ChEMBL ID | CHEMBL2030558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQULVMDBNSSIMR-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.39
ALogP
7
HBA
2
HBD
90.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.05
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.05 | 9.005 | 0.9 | 2 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 5.22 | 5.22 | 5982.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.9 | nM | 9.05 | Inhibition of Cryptosporidium parvum CDPK1 by nonradioactive Kinaseglo luciferas... | 22369268 |
| Unchecked | Ki | = | 1.1 | nM | 8.96 | Inhibition of N-terminal hexaHis-tagged Toxoplasma gondii CDPK1 expressed in Esc... | 22369268 |
| Tyrosine-protein kinase ABL1 | Ki | = | 5500.0 | nM | 5.26 | Inhibition of human ABL by radiometric assay | 22369268 |
| Tyrosine-protein kinase ABL1 | IC50 | = | 5982.0 | nM | 5.22 | Inhibition Assay: Inhibition of human tyrosine kinases. | - |
| Tyrosine-protein kinase ABL1 | IC50 | = | 5982.0 | nM | 5.22 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
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