Compound Detail
CHEMBL1775067
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Basic Information
| ChEMBL ID | CHEMBL1775067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGZLHPMNJNFFNE-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.21
ALogP
5
HBA
2
HBD
63.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.83 | 4.83 | 14880.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.75 | 4.75 | 17980.0 | 1 |
| GroEL/GroES CHEMBL4106139 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.25 | 4.25 | 56230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 480.0 | nM | 6.32 | Inhibition of RSK2 after 60 mins | 21488662 |
| MDA-MB-231 | IC50 | = | 14880.0 | nM | 4.83 | Antiproliferative activity against human MDA-MB-231 cells over expressing RSK2 a... | 21488662 |
| MCF7 | IC50 | = | 17980.0 | nM | 4.75 | Antiproliferative activity against human MCF7 cells over expressing RSK2 after 4... | 21488662 |
| GroEL/GroES | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alph... | 24418775 |
| HCT-116 | IC50 | = | 56230.0 | nM | 4.25 | Antiproliferative activity against human HCT116 cells over expressing RSK2 after... | 21488662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21488662 | 10.1021/jm200139j | HCT-116 | 2 |
| 21488662 | 10.1021/jm200139j | MCF7 | 2 |
| 21488662 | 10.1021/jm200139j | MDA-MB-231 | 2 |
| 24418775 | 10.1016/j.bmcl.2013.12.100 | GroEL/GroES | 2 |
| 21488662 | 10.1021/jm200139j | Ribosomal protein S6 kinase alpha-3 | 2 |
| 21488662 | 10.1021/jm200139j | Ephrin type-A receptor 2 | 1 |
| 21488662 | 10.1021/jm200139j | Ribosomal protein S6 kinase beta-1 | 1 |
| 21488662 | 10.1021/jm200139j | Mitogen-activated protein kinase 14 | 1 |
| 21488662 | 10.1021/jm200139j | Mitogen-activated protein kinase 9 | 1 |
| 21488662 | 10.1021/jm200139j | Glycogen synthase kinase-3 alpha | 1 |
| 21488662 | 10.1021/jm200139j | Mitogen-activated protein kinase 3 | 1 |
| 21488662 | 10.1021/jm200139j | RAC-alpha serine/threonine-protein kinase | 1 |
| 21488662 | 10.1021/jm200139j | Fibroblast growth factor receptor 1 | 1 |
| 21488662 | 10.1021/jm200139j | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 21488662 | 10.1021/jm200139j | Epidermal growth factor receptor | 1 |
| 24418775 | 10.1016/j.bmcl.2013.12.100 | Unchecked | 1 |
| 21488662 | 10.1021/jm200139j | Platelet-derived growth factor receptor beta | 1 |
| 21488662 | 10.1021/jm200139j | Platelet-derived growth factor receptor alpha | 1 |
| 21488662 | 10.1021/jm200139j | Mast/stem cell growth factor receptor Kit | 1 |
| 21488662 | 10.1021/jm200139j | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine