Compound Detail
CHEMBL3809940
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 | CHEMBL3809940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASZCABSVZBJTKA-GXJZLWQJSA-N |
3
Targets
3
Activities
1
Assay Types
5
PK Parameters
8
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.52
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Serine/threonine-protein kinase PIM CHEMBL3559682 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 15.83 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 14.0 | % | Rattus norvegicus |
| F | 17.0 | % | Rattus norvegicus |
| Fu | 0.016 | - | Rattus norvegicus |
| T1/2 | 6.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 | IC50 | = | 0.2 | nM | 9.7 | Inhibition of human full-length Pim2 expressed in Escherichia coli assessed as p... | 27096050 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 0.4 | nM | 9.4 | Inhibition of human full-length Pim1 expressed in Escherichia coli assessed as p... | 27096050 |
| Serine/threonine-protein kinase PIM | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Pim1/2 in human KMS-12-BM cells assessed as phosphorylation of ful... | 27096050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27096050 | 10.1021/acsmedchemlett.5b00403 | Rattus norvegicus | 5 |
| 27096050 | 10.1021/acsmedchemlett.5b00403 | Liver microsome | 2 |
| 27096050 | 10.1021/acsmedchemlett.5b00403 | Serine/threonine-protein kinase pim-1 | 1 |
| 27096050 | 10.1021/acsmedchemlett.5b00403 | LLC-PK1 | 1 |
| 27096050 | 10.1021/acsmedchemlett.5b00403 | Serine/threonine-protein kinase pim-2 | 1 |
| 27096050 | 10.1021/acsmedchemlett.5b00403 | Serine/threonine-protein kinase PIM | 1 |
| 27096050 | 10.1021/acsmedchemlett.5b00403 | No relevant target | 1 |
| 27096050 | 10.1021/acsmedchemlett.5b00403 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine