Compound Detail
CHEMBL113917
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Basic Information
| ChEMBL ID | CHEMBL113917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USRSDLOUCZONOA-BXCKNWRKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.5
MW (Da)
1.66
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pepsin A CHEMBL2714 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pepsin A | Ki | = | 30000.0 | nM | 4.52 | Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gl... | 6767029 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6767029 | 10.1021/jm00175a006 | Pepsin A | 1 |
| 6767029 | 10.1021/jm00175a006 | Renin | 1 |
Data from ChEMBL 36 via Core Engine