Compound Detail
CHEMBL16675
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Basic Information
| ChEMBL ID | CHEMBL16675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUTJQXBZTICBJT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
0.52
ALogP
3
HBA
3
HBD
103.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3369 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 800.0 | nM | 6.1 | In vitro inhibition of enkephalinase purified from rat kidney. | 3897541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871678 | 10.1016/s0960-894x(98)00023-7 | Thermolysin | 1 |
| 3897541 | 10.1021/jm00147a007 | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine