Compound Detail
CHEMBL303606
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N=C(N)NCCCCC[C@H](OP(=O)(O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL303606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFFIPTBYURHLDV-PMACEKPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
2.70
ALogP
5
HBA
5
HBD
166.0
PSA (Ų)
0.11
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 32.0 | nM | 7.5 | In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippu... | 3336020 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3336020 | 10.1021/jm00396a033 | Angiotensin-converting enzyme | 1 |
| 3336020 | 10.1021/jm00396a033 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine