Compound Detail
CHEMBL60550
TERLAKIREN 🧪 Phase II
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🧪 Phase II
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C(=O)OC(C)C
Basic Information
| ChEMBL ID | CHEMBL60550 |
| Name | TERLAKIREN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UZQBKCWYZBHBOW-YIPNQBBMSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
5
Known Names
Molecular Properties
620.8
MW (Da)
2.26
ALogP
8
HBA
4
HBD
146.3
PSA (Ų)
0.23
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 5 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 9.7 | 9.4175 | 0.2 | 4 |
| Cathepsin D CHEMBL4106 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 0.2 | nM | 9.7 | Inhibition of monkey plasma renin | 2066966 |
| Renin | IC50 | = | 0.3 | nM | 9.52 | Compound was tested for the inhibition of guinea pig plasma renin | - |
| Renin | IC50 | = | 0.5 | nM | 9.3 | Compound was tested for the inhibition of monkey plasma renin | - |
| Renin | IC50 | = | 0.7 | nM | 9.15 | Compound was tested for the inhibition of human plasma renin(Hu Renin) | - |
| Cathepsin D | IC50 | = | 24.0 | nM | 7.62 | Inhibitory concentration on Bovine Cathepsin D | 2066966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80553-9 | Renin | 3 |
| 2066966 | 10.1021/jm00111a002 | Renin | 1 |
| 2066966 | 10.1021/jm00111a002 | Cathepsin D | 1 |
| 2066966 | 10.1021/jm00111a002 | Monkey | 1 |
Data from ChEMBL 36 via Core Engine