Compound Detail
CHEMBL1726134
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Basic Information
| ChEMBL ID | CHEMBL1726134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XROGIZCTZXHJRQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.0
MW (Da)
5.09
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.15 | 5.15 | 7130.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.08 | 5.08 | 8291.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.75 | 4.75 | 17700.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 4.24 | 4.24 | 58100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteine protease ATG4B | IC50 | = | 7130.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for i... | - |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 8291.0 | nM | 5.08 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
| C-C chemokine receptor type 6 | IC50 | = | 17700.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
| Phospholipase A2 | IC50 | = | 58100.0 | nM | 4.24 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors ... | - |
Data from ChEMBL 36 via Core Engine