Compound Detail
CHEMBL281785
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CC[C@@H](C)[C@H](NP(=O)([O-])[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].[K+].[K+].[K+]
Basic Information
| ChEMBL ID | CHEMBL281785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNPAVWJIUDXSQV-FDXGCDPUSA-K |
| Parent Compound | CHEMBL1206521 |
| Active Moiety | CHEMBL1206521 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
1.38
ALogP
3
HBA
6
HBD
151.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL2340 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of Endothelin-converting enzyme (ECE) from microsomal fractions of bo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80341-3 | Endothelin-converting enzyme 1 | 1 |
Data from ChEMBL 36 via Core Engine