Compound Detail
CHEMBL1577281
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Basic Information
| ChEMBL ID | CHEMBL1577281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCGRZKQJKAPKMJ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
264.2
MW (Da)
2.07
ALogP
2
HBA
2
HBD
66.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.16
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta Lactamase CHEMBL1293246 | IC50 | 6.16 | 5.885 | 689.0 | 2 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.66 | 5.66 | 2212.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.07 | 5.07 | 8430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta Lactamase | IC50 | = | 689.0 | nM | 6.16 | PubChem BioAssay. FRET-based counterscreen for selective VIM-2 inhibitors: dose ... | - |
| Protein-tyrosine kinase 2-beta | IC50 | = | 2212.0 | nM | 5.66 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| Beta Lactamase | IC50 | = | 2440.0 | nM | 5.61 | PubChem BioAssay. Epi-absorbance-based dose response biochemical high throughput... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 8430.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
Data from ChEMBL 36 via Core Engine