Compound Detail
CHEMBL407670
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL407670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIZSMQBWVQNHCA-NIRMQQKASA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1210.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Kd 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 9.0 | 8.25 | 1.0 | 4 |
| Cathepsin D CHEMBL4106 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Renin CHEMBL286 | Kd | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human renin at pH 7.0 | 3126296 |
| Cathepsin D | IC50 | = | 7.0 | nM | 8.15 | Inhibition of bovine cathepsin D at pH 3.3(no inhibition) | 3126296 |
| Renin | Kd | = | 8.0 | nM | 8.1 | Dissociation constant (Kd) of renin inhibitor was determined over a temperature ... | 2197411 |
| Renin | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with an... | 3137345 |
| Renin | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibitory activity against human plasma renin | 3275777 |
| Renin | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Human plasma renin | 3279210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3137345 | 10.1021/jm00117a027 | Renin | 1 |
| 3126296 | 10.1021/jm00398a022 | Renin | 1 |
| 3126296 | 10.1021/jm00398a022 | Cathepsin D | 1 |
| 2197411 | 10.1021/jm00170a006 | Renin | 1 |
| 3275777 | 10.1021/jm00396a006 | Renin | 1 |
| 12061879 | 10.1021/jm0105833 | Unchecked | 1 |
| 3279210 | 10.1021/jm00398a029 | Renin | 1 |
Data from ChEMBL 36 via Core Engine