Compound Detail
CHEMBL415967
CGS-314447 Enter ChEMBL ID:
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O=P(O)(O)C(Cc1ccc2ccccc2c1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1
Basic Information
| ChEMBL ID | CHEMBL415967 |
| Name | CGS-314447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIBUIEXHVFJHNQ-PMCHYTPCSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
499.5
MW (Da)
4.64
ALogP
5
HBA
4
HBD
124.0
PSA (Ų)
0.22
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neprilysin CHEMBL1944 | IC50 | 8.16 | 8.16 | 6.9 | 1 |
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 7.35 | 6.025 | 45.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neprilysin | IC50 | = | 6.9 | nM | 8.16 | Inhibition of neutral endopeptidase 24.11(NEP) | - |
| Endothelin-converting enzyme 1 | IC50 | = | 45.0 | nM | 7.35 | In vitro inhibition against recombinant human Endothelin converting enzyme 1 act... | - |
| Endothelin-converting enzyme 1 | IC50 | = | 20000.0 | nM | 4.7 | Inhibitory concentration against human ECE-1 by RIA | 15658862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00159-5 | Endothelin-converting enzyme 1 | 2 |
| - | 10.1016/S0960-894X(97)00159-5 | Neprilysin | 1 |
| 15658862 | 10.1021/jm040857x | Endothelin-converting enzyme 1 | 1 |
Data from ChEMBL 36 via Core Engine