Compound Detail
CHEMBL2062122
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CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2062122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORXRRFXMVQFHKZ-LEZLZINTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
767.0
MW (Da)
1.75
ALogP
8
HBA
7
HBD
228.7
PSA (Ų)
0.10
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | Kd | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | Kd | = | 5.4 | nM | 8.27 | Dissociation constant (Kd) of renin inhibitor was determined over a temperature ... | 2197411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2197411 | 10.1021/jm00170a006 | Renin | 1 |
Data from ChEMBL 36 via Core Engine