Compound Detail
CHEMBL5200104
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Basic Information
| ChEMBL ID | CHEMBL5200104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCYVCWZTHVYHSH-LJQANCHMSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
1.57
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 9.1 | 8.845 | 0.8 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 126.0 | 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 | = | 0.8 | nM | 9.1 | Inhibition of human recombinant renin (67 to 406 residues) expressed in HEK293 c... | 35939295 |
| Renin | IC50 | = | 2.6 | nM | 8.59 | 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