Compound Detail
CHEMBL3676258
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 | CHEMBL3676258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRSGGAHSPDXOOW-LBPRGKRZSA-N |
4
Targets
5
Activities
3
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
3.66
ALogP
6
HBA
2
HBD
84.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
EC50 1 meas. best 5.92
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 49.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 11.0 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 0.1 | hr | Rattus norvegicus |
| T1/2 | 1.167 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 1.0 | nM | 9.0 | Depletion Assay: The activity of PIM1 is measured using a luciferase-luciferin b... | - |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 2.0 | nM | 8.7 | Depletion Assay: The activity of PIM3 is measured using a luciferase-luciferin b... | - |
| Serine/threonine-protein kinase pim-2 | Ki | = | 5.0 | nM | 8.3 | Inhibition of PIM2 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as subst... | 26505898 |
| Serine/threonine-protein kinase pim-2 | IC50 | = | 8.0 | nM | 8.1 | Depletion Assay: The activity of PIM2 is measured using a luciferase-luciferin b... | - |
| NON-PROTEIN TARGET | EC50 | = | 1200.0 | nM | 5.92 | Antiproliferative activity against luciferase expressing human KMS11 cells after... | 26505898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26505898 | 10.1021/acs.jmedchem.5b01275 | Liver microsome | 6 |
| 26505898 | 10.1021/acs.jmedchem.5b01275 | Serine/threonine-protein kinase pim-1 | 1 |
| 26505898 | 10.1021/acs.jmedchem.5b01275 | Serine/threonine-protein kinase pim-2 | 1 |
| 26505898 | 10.1021/acs.jmedchem.5b01275 | Serine/threonine-protein kinase pim-3 | 1 |
| 26505898 | 10.1021/acs.jmedchem.5b01275 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine