Compound Detail
CHEMBL359024
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O=C(O)[C@H](Cc1ccc2c(c1)oc1ccccc12)NC(CCc1cccc2cccnc12)P(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL359024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVFZYNJSZQOSLL-XADRRFQNSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.5
MW (Da)
4.86
ALogP
5
HBA
4
HBD
132.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 7.85 | 7.275 | 14.0 | 2 |
| Neprilysin CHEMBL3369 | IC50 | 4.32 | 4.275 | 48000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 14.0 | nM | 7.85 | In Vitro inhibition of recombinant human endothelin converting enzyme-1 | 10669576 |
| Endothelin-converting enzyme 1 | IC50 | = | 200.0 | nM | 6.7 | In Vitro inhibition of recombinant human endothelin converting enzyme-1 | 10669576 |
| Neprilysin | IC50 | = | 48000.0 | nM | 4.32 | In vitro inhibition of rat neutral endopeptidase | 10669576 |
| Neprilysin | IC50 | = | 59000.0 | nM | 4.23 | In vitro inhibition of rat neutral endopeptidase | 10669576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669576 | 10.1021/jm990507o | Endothelin-converting enzyme 1 | 4 |
| 10669576 | 10.1021/jm990507o | Neprilysin | 2 |
| 10669576 | 10.1021/jm990507o | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine