Compound Detail
CHEMBL2153098
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2153098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBJDCOLXJYDHOM-DHZHZOJOSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
4.20
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.57 | 7.4 | 26.9 | 2 |
| S-adenosylmethionine synthase isoform type-2 CHEMBL3313835 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.49 | 4.49 | 32100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 26.9 | nM | 7.57 | Antiproliferative activity against human LS 174T cells by cell viability analyze... | 24950374 |
| NON-PROTEIN TARGET | IC50 | = | 59.0 | nM | 7.23 | Antiproliferative activity against human LS 174T cells after 4 days by Vi-Cell c... | 24930834 |
| S-adenosylmethionine synthase isoform type-2 | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of human recombinant His-tagged MAT2A expressed in Escherichia coli e... | 35796517 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 32100.0 | nM | 4.49 | Inhibition of human ERG over-expressed in HEK293 cell membrane by [3H]dofetilide... | 24950374 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21291235 | 10.1021/jm101248v | Unchecked | 12 |
| 21291235 | 10.1021/jm101248v | NON-PROTEIN TARGET | 3 |
| 24930834 | 10.1016/j.bmcl.2014.04.113 | LS174T | 2 |
| 21291235 | 10.1021/jm101248v | Mus musculus | 1 |
| 24950374 | 10.1021/jm5004864 | S-adenosylmethionine synthase isoform type-2 | 1 |
| 24950374 | 10.1021/jm5004864 | NON-PROTEIN TARGET | 1 |
| 24950374 | 10.1021/jm5004864 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 24950374 | 10.1021/jm5004864 | Unchecked | 1 |
| 24930834 | 10.1016/j.bmcl.2014.04.113 | NON-PROTEIN TARGET | 1 |
| 35796517 | 10.1021/acs.jmedchem.2c00395 | S-adenosylmethionine synthase isoform type-2 | 1 |
Data from ChEMBL 36 via Core Engine