Compound Detail
CHEMBL289303
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Basic Information
| ChEMBL ID | CHEMBL289303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKXJVJVTYASYEF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
2.84
ALogP
5
HBA
4
HBD
110.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.82 | 5.7 | 1500.0 | 3 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory activity against Integrase in strand transfer (integration) | 10780910 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2300.0 | nM | 5.64 | Inhibitory activity against Integrase in 3'-end- processing | 10780910 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2300.0 | nM | 5.64 | In vitro inhibition of recombinant integrase activity in a standard 3'-processin... | 15109635 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of PIM1 | 20363627 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10780910 | 10.1021/jm990467o | Human immunodeficiency virus type 1 integrase | 2 |
| 10780910 | 10.1021/jm990467o | Human immunodeficiency virus 1 | 2 |
| 15109635 | 10.1016/j.bmcl.2004.03.005 | CCRF-CEM | 2 |
| 20363627 | 10.1016/j.bmcl.2010.03.061 | Serine/threonine-protein kinase pim-1 | 2 |
| 15109635 | 10.1016/j.bmcl.2004.03.005 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine