Compound Detail
CHEMBL493742
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Basic Information
| ChEMBL ID | CHEMBL493742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZPOUCQZRNTFFR-YFHOEESVSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
2.57
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 CHEMBL4523 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 4.96 | 4.96 | 11100.0 | 1 |
| GATA4/NKX2-5 CHEMBL4106137 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-2 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of human recombinant Pim2 by ATP depletion assay | 19072652 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human recombinant Pim1 by ATP depletion assay | 19072652 |
| Insulin-like growth factor 1 receptor | IC50 | = | 11100.0 | nM | 4.96 | Inhibition of IGF1R by ELISA | 20178321 |
| GATA4/NKX2-5 | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of mouse GATA4/NKX2-5 transcriptional synergy expressed in African gr... | 28858485 |
| HL-60 | IC50 | = | 49000.0 | nM | 4.31 | Cytotoxicity against human HL-60 cells measured after 72 hrs by MTT assay | 33460833 |
| PC-3 | IC50 | = | 65000.0 | nM | 4.19 | Antiproliferative activity against human PC3 cells after 48 hrs by MTS assay | 19072652 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19072652 | 10.1021/jm800937p | Serine/threonine-protein kinase pim-1 | 1 |
| 19072652 | 10.1021/jm800937p | Serine/threonine-protein kinase pim-2 | 1 |
| 19072652 | 10.1021/jm800937p | PC-3 | 1 |
| 20178321 | 10.1021/jm901798e | Insulin-like growth factor 1 receptor | 1 |
| 20178321 | 10.1021/jm901798e | Insulin receptor | 1 |
| 20178321 | 10.1021/jm901798e | MCF7 | 1 |
| 28858485 | 10.1021/acs.jmedchem.7b00816 | GATA4/NKX2-5 | 1 |
| 33460833 | 10.1016/j.ejmech.2020.113137 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine