Compound Detail
CHEMBL23641
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Basic Information
| ChEMBL ID | CHEMBL23641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KABOPQLXAGVINK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
2.16
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL4074 | IC50 | 8.02 | 7.75 | 9.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 9.5 | nM | 8.02 | In vitro inhibition of Angiotensin I converting enzyme | 6310112 |
| Angiotensin-converting enzyme | IC50 | = | 33.0 | nM | 7.48 | In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme... | 2981324 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2981324 | 10.1021/jm00379a013 | Angiotensin-converting enzyme | 1 |
| 6310112 | 10.1021/jm00363a011 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine