Compound Detail
CHEMBL4647152
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NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS
Basic Information
| ChEMBL ID | CHEMBL4647152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLCPMRZCONSMPP-OALUTQOASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
1.04
ALogP
5
HBA
6
HBD
137.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Elastase CHEMBL1075146 | Ki | 7.39 | 7.39 | 40.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Elastase | Ki | = | 40.5 | nM | 7.39 | Inhibition of Pseudomonas aeruginosa LasB using aminobenzoyl-Ala-Gly-Leu-Ala-p-n... | 32470298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32470298 | 10.1021/acs.jmedchem.0c00584 | Elastase | 1 |
Data from ChEMBL 36 via Core Engine