Compound Detail
CHEMBL48051
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CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NOC(=O)CN(C(=O)OCc1ccccc1)P(=O)(O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL48051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGLUIJIQMLCUIY-ROUUACIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
531.5
MW (Da)
1.80
ALogP
8
HBA
5
HBD
191.8
PSA (Ų)
0.17
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thermolysin CHEMBL3392 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thermolysin | Ki | = | 9000.0 | nM | 5.05 | Inhibitory constant against thermolysin. | 1588550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1588550 | 10.1021/jm00088a002 | Thermolysin | 1 |
Data from ChEMBL 36 via Core Engine