Compound Detail
CHEMBL3298936
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Basic Information
| ChEMBL ID | CHEMBL3298936 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVVSZRZBRAMYSJ-GKAPJAKFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
0.40
ALogP
5
HBA
4
HBD
86.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | Ki | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | Ki | = | 24.0 | nM | 7.62 | Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after... | 24927250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24927250 | 10.1021/jm500602h | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine