Compound Detail
CHEMBL265833
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](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C1=NC(CO)(CO)CO1)C(C)C)C(=O)OCc1ccccn1
Basic Information
| ChEMBL ID | CHEMBL265833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGGYGPLGEWFQCB-BPVPQGFMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
960.2
MW (Da)
2.30
ALogP
14
HBA
7
HBD
261.0
PSA (Ų)
0.06
QED
3
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL2322 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 1.1 | nM | 8.96 | Tested in vitro for inhibitory activity against plasma renin in rat models | 2197413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2197413 | 10.1021/jm00170a036 | No relevant target | 2 |
| 2197413 | 10.1021/jm00170a036 | Renin | 1 |
Data from ChEMBL 36 via Core Engine