Compound Detail
CHEMBL1778710
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Basic Information
| ChEMBL ID | CHEMBL1778710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RINGOEHWKXCHGN-GDNBJRDFSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
3.57
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 5.76 | 5.76 | 1730.0 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | IC50 | 5.57 | 5.57 | 2720.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.21 | 5.21 | 6190.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.07 | 5.07 | 8550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 1730.0 | nM | 5.76 | Inhibition of ALK using FL-Peptide 13, 5-FAM-KKSRGDYMTMQIG-CONH2 substrate after... | 21515061 |
| Ribosomal protein S6 kinase alpha-3 | IC50 | = | 2720.0 | nM | 5.57 | Inhibition of RSK2 (unknown origin) using AKRRRLSSLRA as substrate after 60 mins... | 23434140 |
| PC-3 | IC50 | = | 6190.0 | nM | 5.21 | Cytotoxicity against human PC3 cells assessed as growth inhibition after 48 hrs ... | 23434140 |
| MCF7 | IC50 | = | 8550.0 | nM | 5.07 | Cytotoxicity against human MCF7 cells assessed as growth inhibition after 48 hrs... | 23434140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23434140 | 10.1016/j.bmc.2013.01.047 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 21515061 | 10.1016/j.bmc.2011.04.008 | ALK tyrosine kinase receptor | 1 |
| 23434140 | 10.1016/j.bmc.2013.01.047 | MCF7 | 1 |
| 23434140 | 10.1016/j.bmc.2013.01.047 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine