Compound Detail
CHEMBL589301
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Basic Information
| ChEMBL ID | CHEMBL589301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKJXHTXGHDYMGI-BZUAXINKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
1.15
ALogP
4
HBA
0
HBD
59.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Secreted aspartic protease 2 CHEMBL6021 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Secreted aspartic protease 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of candida albicans SAP2 using 0.05% BSA as substrate by spectrophoto... | 23123016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20184325 | 10.1021/jm901734u | Candida albicans | 16 |
| 20184325 | 10.1021/jm901734u | Secreted aspartic protease 2 | 5 |
| 23123016 | 10.1016/j.bmc.2012.09.031 | Secreted aspartic protease 2 | 2 |
| 25042102 | 10.1016/j.ejmech.2014.07.049 | Protease | 1 |
| 28359674 | 10.1016/j.bmc.2017.03.030 | Beta-secretase 1 | 1 |
| 29294275 | 10.1021/acs.jmedchem.7b01413 | Secreted aspartic protease 2 | 1 |
Data from ChEMBL 36 via Core Engine