Compound Detail
CHEMBL3747207
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Basic Information
| ChEMBL ID | CHEMBL3747207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOMHIBLQLFRGHE-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.29
ALogP
6
HBA
3
HBD
110.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 8.4 | 8.4 | 4.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 52.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 18.0 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 0.05 | hr | Rattus norvegicus |
| T1/2 | 0.2333 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | Ki | = | 3.0 | nM | 8.52 | Inhibition of PIM3 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as subst... | 26505898 |
| Serine/threonine-protein kinase pim-2 | Ki | = | 4.0 | nM | 8.4 | Inhibition of PIM2 kinase (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as subst... | 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 |
Data from ChEMBL 36 via Core Engine