Compound Detail
CHEMBL1377376
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Basic Information
| ChEMBL ID | CHEMBL1377376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBWKIBVDKWTPIJ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.68
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.84
EC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase CHEMBL1287620 | IC50 | 5.84 | 5.84 | 1449.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.5 | 5.5 | 3146.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.14 | 5.14 | 7303.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase | IC50 | = | 1449.0 | nM | 5.84 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| No relevant target | IC50 | = | 3146.0 | nM | 5.5 | PubChem BioAssay. Counterscreen for inhibitors of the fructose-bisphosphate aldo... | - |
| Unchecked | EC50 | = | 7303.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Luminescent Cell-Based Dose Titration Retest Counterscreen to ... | - |
Data from ChEMBL 36 via Core Engine