Compound Detail
CHEMBL4202879
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Basic Information
| ChEMBL ID | CHEMBL4202879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEBARHNBNHJMSJ-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
503.8
MW (Da)
3.34
ALogP
5
HBA
2
HBD
77.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Z-138 CHEMBL4483276 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| JeKo-1 CHEMBL4296445 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Maver1 CHEMBL4483260 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| JVM-2 CHEMBL2366359 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.16 | 5.99 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1.8 | nM | 8.74 | Inhibition of AKT1 (unknown origin) using biotinylated-STK as substrate after 45... | 28704757 |
| Z-138 | IC50 | = | 200.0 | nM | 6.7 | Antiproliferative activity against human Z138 cells after 72 hrs by CellTiter Gl... | 28704757 |
| Maver1 | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human Maver1 cells after 72 hrs by CellTiter ... | 28704757 |
| JeKo-1 | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human JeKo1 cells after 72 hrs by CellTiter G... | 28704757 |
| JVM-2 | IC50 | = | 700.0 | nM | 6.16 | Antiproliferative activity against human JVM2 cells after 72 hrs by CellTiter Gl... | 28704757 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Antiproliferative activity against human Mino cells after 72 hrs by CellTiter Gl... | 28704757 |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Antiproliferative activity against human SP49 cells after 72 hrs by CellTiter Gl... | 28704757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28704757 | 10.1016/j.ejmech.2017.06.067 | JeKo-1 | 35 |
| 28704757 | 10.1016/j.ejmech.2017.06.067 | RAC-alpha serine/threonine-protein kinase | 5 |
| 28704757 | 10.1016/j.ejmech.2017.06.067 | Unchecked | 3 |
| 28704757 | 10.1016/j.ejmech.2017.06.067 | JVM-2 | 1 |
| 28704757 | 10.1016/j.ejmech.2017.06.067 | Maver1 | 1 |
| 28704757 | 10.1016/j.ejmech.2017.06.067 | Z-138 | 1 |
Data from ChEMBL 36 via Core Engine