Compound Detail
CHEMBL296582
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Basic Information
| ChEMBL ID | CHEMBL296582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYMDDJODSVMYBQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
2.58
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of epidermal growth factor receptor (EGFR) | - |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory activity against HIV-1 Integrase (HIV-1-IN) | 11831895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473544 | 10.1021/jm00021a006 | Human immunodeficiency virus type 1 integrase | 1 |
| - | 10.1016/S0960-894X(00)80473-4 | Epidermal growth factor receptor | 1 |
| - | 10.1016/S0960-894X(00)80473-4 | Tyrosine-protein kinase Lck | 1 |
| 11831895 | 10.1021/jm010399h | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine