Compound Detail
CHEMBL391586
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Basic Information
| ChEMBL ID | CHEMBL391586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVSYJTYGPLVUOZ-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
367.2
MW (Da)
4.05
ALogP
3
HBA
2
HBD
76.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.3
Kd 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 7.3 | 7.3 | 50.0 | 5 |
| Baculoviral IAP repeat-containing protein 5 CHEMBL5989 | Kd | 5.3 | 5.27 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Pim1 kinase | 17251021 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Pim1 after 15 mins by scintillation counting-based competition ass... | 19256503 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of Pim1 assessed as [32P] incorporation preincubated for 15 mins befo... | 19414255 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of PIM1 | 19836860 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 50.0 | nM | 7.3 | Competitive inhibition of PIM1 in presence of ATP | 22924342 |
| Baculoviral IAP repeat-containing protein 5 | Kd | = | 5000.0 | nM | 5.3 | Binding affinity to human survivin expressed in Escherichia coli BL21 cells afte... | 17391963 |
| Baculoviral IAP repeat-containing protein 5 | Kd | = | 5700.0 | nM | 5.24 | Inhibition of survivin | 19836860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17391963 | 10.1016/j.bmcl.2007.03.042 | Baculoviral IAP repeat-containing protein 5 | 1 |
| 17251021 | 10.1016/j.bmcl.2006.12.086 | Serine/threonine-protein kinase pim-1 | 1 |
| 17251021 | 10.1016/j.bmcl.2006.12.086 | Serine/threonine-protein kinase pim-2 | 1 |
| 17251021 | 10.1016/j.bmcl.2006.12.086 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
| 17251021 | 10.1016/j.bmcl.2006.12.086 | Dual specificity mitogen-activated protein kinase kinase 2 | 1 |
| 19256503 | 10.1021/jm801242y | Serine/threonine-protein kinase pim-1 | 1 |
| 19414255 | 10.1016/j.bmcl.2009.04.061 | Serine/threonine-protein kinase pim-1 | 1 |
| 19836860 | 10.1016/j.ejmech.2009.09.029 | Serine/threonine-protein kinase pim-1 | 1 |
| 19836860 | 10.1016/j.ejmech.2009.09.029 | Baculoviral IAP repeat-containing protein 5 | 1 |
| 22924342 | 10.1021/jm3009234 | Serine/threonine-protein kinase pim-1 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine