Compound Detail
CHEMBL91792
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Basic Information
| ChEMBL ID | CHEMBL91792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUGMRIBZSVSJNP-UFBFGSQYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
0.63
ALogP
3
HBA
4
HBD
108.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
EC50 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin-converting enzyme CHEMBL1808 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Solute carrier family 15 member 1 CHEMBL4605 | EC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | IC50 | = | 10000.0 | nM | 5.0 | Biological activity was measured against Angiotensin I converting enzyme | 7629809 |
| Solute carrier family 15 member 1 | EC50 | = | 80000.0 | nM | 4.1 | Activation of human PEPT1 expressed in MDCK cells | 16759105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759105 | 10.1021/jm0511029 | Solute carrier family 15 member 1 | 4 |
| 19060912 | 10.1038/nchembio.132 | General amino-acid permease GAP1 | 2 |
| 7629809 | 10.1021/jm00014a022 | Angiotensin-converting enzyme | 1 |
| 25016232 | 10.1016/j.ejmech.2014.07.015 | Angiotensin-converting enzyme | 1 |
Data from ChEMBL 36 via Core Engine