Compound Detail
CHEMBL38405
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Basic Information
| ChEMBL ID | CHEMBL38405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REPVVNYZORKKPQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
1.12
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thermolysin CHEMBL3392 | Ki | 5.64 | 5.64 | 2290.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thermolysin | Ki | = | 2290.87 | nM | 5.64 | pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki ... | 11931613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9379435 | 10.1021/jm970211n | Angiotensin-converting enzyme | 1 |
| 11931613 | 10.1021/jm011039x | Thermolysin | 1 |
| - | 10.1016/0960-894X(96)00091-1 | Endothelin-converting enzyme 1 | 1 |
Data from ChEMBL 36 via Core Engine