Compound Detail
CHEMBL2372437
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Basic Information
| ChEMBL ID | CHEMBL2372437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGSNBBSHVNLDMX-YUMQZZPRSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
-1.74
ALogP
5
HBA
5
HBD
150.6
PSA (Ų)
0.20
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Ki 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL3768 | IC50 | 8.7 | 8.05 | 2.0 | 2 |
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Thermolysin CHEMBL3392 | IC50 | 7.19 | 6.975 | 64.0 | 2 |
| Thermolysin CHEMBL3392 | Ki | 6.32 | 6.32 | 478.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 2.0 | nM | 8.7 | Inhibitory activity against Leu-enkeph of Neutral endopeptidase | 7783143 |
| Endothelin-converting enzyme 1 | IC50 | = | 11.0 | nM | 7.96 | Inhibitory activity against human bronchiolar smooth muscle Endothelin-convertin... | 7783143 |
| Neprilysin | IC50 | = | 40.0 | nM | 7.4 | Inhibitory activity against big ET-1 of Neutral endopeptidase | 7783143 |
| Thermolysin | IC50 | = | 64.0 | nM | 7.19 | Compound was tested in vitro for inhibitory activity against thermolysin | - |
| Thermolysin | IC50 | = | 175.0 | nM | 6.76 | Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN) | 7783143 |
| Thermolysin | Ki | = | 478.63 | nM | 6.32 | pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki ... | 11931613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783143 | 10.1021/jm00012a011 | Neprilysin | 2 |
| 11931613 | 10.1021/jm011039x | Thermolysin | 1 |
| - | 10.1016/S0960-894X(01)80994-X | Thermolysin | 1 |
| 7783143 | 10.1021/jm00012a011 | Endothelin-converting enzyme 1 | 1 |
| 7783143 | 10.1021/jm00012a011 | Thermolysin | 1 |
| 9464365 | 10.1021/jm9706426 | Neutrophil collagenase | 1 |
Data from ChEMBL 36 via Core Engine