Compound Detail
CHEMBL1631751
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
C[C@@H](NC(=O)N1C(=O)[C@@H](Cc2ccccc2)[C@H]1Oc1ccc(N2CCN(C)CC2)cc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1631751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJHJFXLNIQUNTR-SGNYCRIWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
4.32
ALogP
5
HBA
1
HBD
65.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymase CHEMBL4068 | IC50 | 9.34 | 9.34 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymase | IC50 | = | 0.46 | nM | 9.34 | Inhibition of human Chymase | 20970895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20970895 | 10.1016/j.ejmech.2010.09.035 | Chymase | 1 |
Data from ChEMBL 36 via Core Engine