Compound Detail
CHEMBL346424
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Basic Information
| ChEMBL ID | CHEMBL346424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCEAHFJYQBFRCJ-KBPBESRZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
2.07
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 8.15 | 8.15 | 7.0 | 2 |
| Thermolysin CHEMBL3392 | IC50 | 5.64 | 5.64 | 2300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 7.0 | nM | 8.15 | Inhibition of neutral endopeptidase | 9046340 |
| Neprilysin | IC50 | = | 7.0 | nM | 8.15 | Inhibitory concentration required to inhibit neutral endopeptidase (NEP) | 9046341 |
| Thermolysin | IC50 | = | 2300.0 | nM | 5.64 | Inhibitory concentration required to inhibit thermolysin | 9046340 |
| Thermolysin | IC50 | = | 2300.0 | nM | 5.64 | Inhibitory concentration required to inhibit thermolysin (TLN) | 9046341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046340 | 10.1021/jm960582o | Neprilysin | 1 |
| 9046340 | 10.1021/jm960582o | Thermolysin | 1 |
| 9046341 | 10.1021/jm960583g | Neprilysin | 1 |
| 9046341 | 10.1021/jm960583g | Thermolysin | 1 |
| 9046341 | 10.1021/jm960583g | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine