Compound Detail
CHEMBL1588034
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 | CHEMBL1588034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQSXOMOXZXIWTM-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
5.05
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.18
EC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.97 | 6.97 | 107.0 | 1 |
| Calpain-2 catalytic subunit CHEMBL4143 | IC50 | 5.18 | 5.18 | 6569.4 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.48 | 4.42 | 32900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 107.0 | nM | 6.97 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Calpain-2 catalytic subunit | IC50 | = | 6569.37 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of a... | - |
| Protein skinhead-1 | IC50 | = | 32900.0 | nM | 4.48 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 43410.0 | nM | 4.36 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25456390 | 10.1016/j.bmc.2014.10.007 | Mycobacterium tuberculosis | 2 |
Data from ChEMBL 36 via Core Engine