Compound Detail
CHEMBL240329
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Basic Information
| ChEMBL ID | CHEMBL240329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBQNOJACVLFVBP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
2.63
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.48
EC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.03 | 5.03 | 9440.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.48 | 4.43 | 33000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 9440.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of HIV1 integrase strand transfer activity | 17502148 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of HIV1 integrase 3'-end processing activity | 17502148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17502148 | 10.1016/j.bmc.2007.04.041 | Human immunodeficiency virus type 1 integrase | 2 |
Data from ChEMBL 36 via Core Engine