Compound Detail
CHEMBL2171516
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Basic Information
| ChEMBL ID | CHEMBL2171516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTEPOVQRHGZHJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
4.53
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cdc2-related kinase CHEMBL2169723 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cdc2-related kinase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) usi... | 23063403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23063403 | 10.1016/j.bmcl.2012.09.044 | Cdc2-related kinase | 1 |
Data from ChEMBL 36 via Core Engine