Compound Detail
CHEMBL583784
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CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL583784 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NKFAJNZSNDCNPK-LROMGURASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
667.8
MW (Da)
0.25
ALogP
10
HBA
7
HBD
212.3
PSA (Ų)
0.09
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostate-specific antigen CHEMBL2099 | Ki | 8.12 | 8.12 | 7.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostate-specific antigen | Ki | = | 7.5 | nM | 8.12 | Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluo... | 19541487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19541487 | 10.1016/j.bmc.2009.06.012 | Prostate-specific antigen | 1 |
Data from ChEMBL 36 via Core Engine