Compound Detail
CHEMBL319708
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3cncnc3)cc2)C(=O)O)CCCC1
Basic Information
| ChEMBL ID | CHEMBL319708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTUCUQYEWVGDDQ-ANYOKISRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
2.64
ALogP
6
HBA
4
HBD
121.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 CHEMBL4791 | IC50 | 6.92 | 6.92 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-converting enzyme 1 | IC50 | = | 120.0 | nM | 6.92 | In vitro inhibition of Endothelin-converting enzyme 1. | 12372501 |
| Endothelin-converting enzyme 1 | IC50 | = | 120.0 | nM | 6.92 | In vitro inhibitory activity was tested against Endothelin converting enzyme 1 | 11212114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372501 | 10.1016/s0960-894x(02)00683-2 | Endothelin-converting enzyme 1 | 1 |
| 11212114 | 10.1016/s0960-894x(00)00657-0 | Endothelin-converting enzyme 1 | 1 |
Data from ChEMBL 36 via Core Engine