Compound Detail
CHEMBL80008
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL80008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAPWUHDXKLLFSQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
384.3
MW (Da)
1.99
ALogP
7
HBA
5
HBD
149.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of PIM1 | 20363627 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 6500.0 | nM | 5.19 | In vitro inhibition of recombinant integrase activity in a standard 3'-processin... | 15109635 |
| Human immunodeficiency virus 1 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of particle production in de novo infection assay of HIV infected CEM... | 15109635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15109635 | 10.1016/j.bmcl.2004.03.005 | Human immunodeficiency virus type 1 integrase | 1 |
| 15109635 | 10.1016/j.bmcl.2004.03.005 | Human immunodeficiency virus 1 | 1 |
| 15109635 | 10.1016/j.bmcl.2004.03.005 | CCRF-CEM | 1 |
| 20363627 | 10.1016/j.bmcl.2010.03.061 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine