Compound Detail
CHEMBL2419043
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)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ncco1.O=C(O)/C=C/C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2419043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVPBPEQEIILYED-GQTUSKKOSA-N |
| Parent Compound | CHEMBL3040839 |
| Active Moiety | CHEMBL3040839 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.1
MW (Da)
3.64
ALogP
6
HBA
2
HBD
90.7
PSA (Ų)
0.60
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.72
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 1.9 | nM | 8.72 | Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Il... | 23886807 |
| Renin | IC50 | = | 8.3 | nM | 8.08 | Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level aft... | 23886807 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23886807 | 10.1016/j.bmc.2013.06.057 | Renin | 3 |
Data from ChEMBL 36 via Core Engine