Compound Detail
CHEMBL5176170
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Basic Information
| ChEMBL ID | CHEMBL5176170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAWDDTXQRGJVFI-GOSISDBHSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
1.26
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 8.51 | 8.115 | 3.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 3.1 | nM | 8.51 | Inhibition of human recombinant renin (67 to 406 residues) expressed in HEK293 c... | 35939295 |
| Renin | IC50 | = | 19.0 | nM | 7.72 | Displacement of 125I-labeled angiotensin I from from human plasma renin by gamma... | 35939295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35939295 | 10.1021/acs.jmedchem.2c00834 | Renin | 2 |
| 35939295 | 10.1021/acs.jmedchem.2c00834 | ADMET | 1 |
| 35939295 | 10.1021/acs.jmedchem.2c00834 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine