Compound Detail
CHEMBL39958
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 | CHEMBL39958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZCUUBHCFIUECD-DAFODLJHSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
3.22
ALogP
5
HBA
4
HBD
110.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.5 | 5.4975 | 3200.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of PIM1 | 20363627 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 3200.0 | nM | 5.5 | Inhibitory activity against Integrase in 3'-end- processing | 10780910 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 3200.0 | nM | 5.5 | Inhibitory activity against Integrase in strand transfer (integration) | 10780910 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 3200.0 | nM | 5.5 | In vitro inhibition of recombinant integrase activity in a standard 3'-processin... | 15109635 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 3235.94 | nM | 5.49 | Inhibition of HIV1 integrase 3' processing activity | 17452064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361391 | 10.1021/jm020845g | Human immunodeficiency virus 1 | 3 |
| 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 | 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 |
| 17452064 | 10.1016/j.ejmech.2007.02.021 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine