Compound Detail
CHEMBL298615
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)C[C@H](NC(=O)CC(O)C(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccncc1
Basic Information
| ChEMBL ID | CHEMBL298615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIFCSVDZKULWCQ-SDXOYORDSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
803.0
MW (Da)
4.02
ALogP
9
HBA
7
HBD
216.5
PSA (Ų)
0.09
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 9.0 | 8.6967 | 1.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 0.99 | nM | 9.0 | Inhibition of renin | 3050088 |
| Renin | IC50 | = | 1.2 | nM | 8.92 | Concentration required for 50% inhibition of human plasma renin | 3050088 |
| Renin | IC50 | = | 6.7 | nM | 8.17 | Inhibition of porcine kidney renin | 3050088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3050088 | 10.1021/jm00118a009 | Renin | 3 |
| 3050088 | 10.1021/jm00118a009 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine