Compound Detail
CHEMBL4061456
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Basic Information
| ChEMBL ID | CHEMBL4061456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIRPQZMBABINPZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
2.36
ALogP
8
HBA
1
HBD
84.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 | Ki | = | 0.4 | nM | 9.4 | Inhibition of PIM3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after... | 28445037 |
| Serine/threonine-protein kinase pim-1 | Ki | = | 0.5 | nM | 9.3 | Inhibition of PIM1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after... | 28445037 |
| Serine/threonine-protein kinase pim-2 | Ki | = | 16.0 | nM | 7.8 | Inhibition of PIM2 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after... | 28445037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28445037 | 10.1021/acs.jmedchem.7b00418 | ADMET | 4 |
| 28445037 | 10.1021/acs.jmedchem.7b00418 | Serine/threonine-protein kinase pim-1 | 1 |
| 28445037 | 10.1021/acs.jmedchem.7b00418 | Serine/threonine-protein kinase pim-2 | 1 |
| 28445037 | 10.1021/acs.jmedchem.7b00418 | Serine/threonine-protein kinase pim-3 | 1 |
Data from ChEMBL 36 via Core Engine