Compound Detail
CHEMBL593310
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Basic Information
| ChEMBL ID | CHEMBL593310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVRWXCIPARSBJT-AUWJEWJLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
451.3
MW (Da)
4.78
ALogP
6
HBA
1
HBD
83.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.96 | 6.89 | 1.1 | 2 |
| PH and SEC7 domain-containing protein 1 CHEMBL4523105 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.1 | nM | 8.96 | Biochemical Assay1: The primary biochemical assay uses a fluorometric assay for ... | - |
| PH and SEC7 domain-containing protein 1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of N-terminal His-tagged and N-terminal alpha-helix lacking Arf6 (14 ... | - |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of Staphylococcus aureus sortase A deltaN59 mutant assessed as Dap(Dn... | 19781950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19781950 | 10.1016/j.bmc.2009.08.067 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine