Compound Detail
CHEMBL17040
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Basic Information
| ChEMBL ID | CHEMBL17040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQSTWGVXLHGLGP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
-0.02
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 350.0 | nM | 6.46 | In vitro inhibition of enkephalinase purified from rat kidney. | 3897541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3897541 | 10.1021/jm00147a007 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine