Compound Detail
CHEMBL172116
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
Basic Information
| ChEMBL ID | CHEMBL172116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEPZYEZEUMVYDV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
2.64
ALogP
2
HBA
2
HBD
37.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.66 | 6.3667 | 220.0 | 3 |
| Carboxypeptidase A1 CHEMBL3481 | Ki | 5.87 | 5.87 | 1350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 220.0 | nM | 6.66 | Inhibition of pseudomonas aeruginosa VIM2 | 18052313 |
| Unchecked | Ki | = | 220.0 | nM | 6.66 | Inhibition of IMP1 | 19553129 |
| Carboxypeptidase A1 | Ki | = | 1350.0 | nM | 5.87 | Inhibition of bovine carboxypeptidase A (CPA) using hippuryl-L-phenylalanine (Hi... | 11831903 |
| Unchecked | Ki | = | 1660.0 | nM | 5.78 | Inhibition of IMP1 expressed in Escherichia coli BL21 (DE3) | 18052313 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052313 | 10.1021/jm701031n | Unchecked | 2 |
| 11831903 | 10.1021/jm010272s | Carboxypeptidase A1 | 1 |
| 19553129 | 10.1016/j.bmc.2009.05.070 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine