Compound Detail
CHEMBL1732365
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Basic Information
| ChEMBL ID | CHEMBL1732365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVPALWYMAIMQJF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.27
ALogP
3
HBA
0
HBD
34.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
EC50 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.3 | 2511.0 | 2 |
| Protein S100-A4 CHEMBL2362976 | EC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2511.0 | nM | 5.6 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Unchecked | IC50 | = | 9911.0 | nM | 5.0 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| Protein S100-A4 | EC50 | = | 95000.0 | nM | 4.02 | Binding affinity to S100A4 (unknown origin) assessed as inhibition of S100A4/myo... | - |
Data from ChEMBL 36 via Core Engine