Compound Detail
CHEMBL35815
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NCCCC[C@H](OP(=O)(O)CCCCc1ccccc1)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL35815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYVOGHTUYMZJEE-CMOCDZPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
3.56
ALogP
5
HBA
3
HBD
130.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 26.0 | nM | 7.58 | Inhibition of rabbit lung angiotensin I converting enzyme (ACE) using hippuryl-h... | 2329568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2329568 | 10.1021/jm00167a028 | Angiotensin-converting enzyme | 3 |
Data from ChEMBL 36 via Core Engine