Compound Detail
CHEMBL1456440
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Basic Information
| ChEMBL ID | CHEMBL1456440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BESWLCDPXSVTTF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.12
ALogP
5
HBA
2
HBD
59.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.12 | 5.06 | 7507.0 | 2 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 5.06 | 5.06 | 8782.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7507.0 | nM | 5.12 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Serine/threonine-protein phosphatase | IC50 | = | 8782.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | IC50 | = | 10062.0 | nM | 5.0 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
Data from ChEMBL 36 via Core Engine