Compound Detail
CHEMBL59973
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CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)P1(=O)OCCCO1
Basic Information
| ChEMBL ID | CHEMBL59973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRNBOFCWYIICIY-VZTVMPNDSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
654.8
MW (Da)
2.89
ALogP
9
HBA
4
HBD
155.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 9.7 | 9.0 | 0.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 0.2 | nM | 9.7 | Compound was tested for the inhibition of monkey plasma renin | - |
| Renin | IC50 | = | 0.6 | nM | 9.22 | Compound was tested for the inhibition of human plasma renin(Hu Renin) | - |
| Renin | IC50 | = | 8.4 | nM | 8.08 | Compound was tested for the inhibition of guinea pig plasma renin | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80553-9 | Renin | 3 |
Data from ChEMBL 36 via Core Engine