Compound Detail
CHEMBL81284
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 | CHEMBL81284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOCKFXGGESYTHB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.3
MW (Da)
2.37
ALogP
6
HBA
6
HBD
152.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of PIM1 | 20363627 |
| Human immunodeficiency virus 1 | IC50 | = | 55000.0 | nM | 4.26 | 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