Compound Detail
CHEMBL274550
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
NCCCCC(NC(=O)C1CCC1)C(=O)NC(Cc1ccccc1)C(=O)CCC(=O)N1CCCC1C(=O)O.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL274550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYLMFRVBTIYYGD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL357534 |
| Active Moiety | CHEMBL357534 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
1.55
ALogP
6
HBA
4
HBD
158.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.15 | 8.135 | 7.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 7.0 | nM | 8.15 | Compound was evaluated for inhibition of porcine plasma Angiotensin I converting... | 2991517 |
| Angiotensin-converting enzyme | IC50 | = | 7.6 | nM | 8.12 | Inhibitory activity against porcine plasma Angiotensin I converting enzyme | 2991518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2991517 | 10.1021/jm00146a014 | Rattus norvegicus | 3 |
| 2991518 | 10.1021/jm00146a015 | Angiotensin-converting enzyme | 1 |
| 2991517 | 10.1021/jm00146a014 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine