Compound Detail
CHEMBL10521
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CC(CC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C1CCC1)C(=O)N1CCCC1C(=O)O.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL10521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTTFDIISGWSDOQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1177996 |
| Active Moiety | CHEMBL1177996 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
1.80
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 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 3.0 | nM | 8.52 | Compound was evaluated for inhibition of porcine plasma Angiotensin I converting... | 2991517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2991517 | 10.1021/jm00146a014 | Rattus norvegicus | 3 |
| 2991517 | 10.1021/jm00146a014 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine