Compound Detail
CHEMBL5170759
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 | CHEMBL5170759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAFRLXQGMZPMLA-UHFFFAOYSA-N |
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
2.84
ALogP
5
HBA
0
HBD
61.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.86
IC50 1 meas. best 4.91
Kd 1 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RISC-loading complex subunit TARBP2 CHEMBL2098 | Kd | 7.98 | 7.98 | 10.4 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.86 | 5.86 | 1380.0 | 2 |
| Programmed cell death protein 4 CHEMBL1781868 | EC50 | 5.65 | 5.65 | 2251.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.91 | 4.91 | 12350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RISC-loading complex subunit TARBP2 | Kd | = | 10.42 | nM | 7.98 | Binding affinity to human recombinant TRBP by SPR assay | 35695407 |
| Unchecked | EC50 | = | 1381.0 | nM | 5.86 | Inhibition of microRNA in human HeLa cells transfected with pCI-neo-luciferase-m... | 35695407 |
| Unchecked | EC50 | = | 1380.0 | nM | 5.86 | Inhibition of microRNA in human HeLa cells transfected with pCI-neo-luciferase-m... | 35695407 |
| Programmed cell death protein 4 | EC50 | = | 2251.0 | nM | 5.65 | Inhibition of PDCD4 in human HeLa cells tranfected with pCI-neo-luciferase-PDCD4... | 35695407 |
| Unchecked | IC50 | = | 12350.0 | nM | 4.91 | Inhibition of TRBP (unknown origin) - recombinant Dicer (unknown origin) protein... | 35695407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35695407 | 10.1021/acs.jmedchem.2c00189 | Unchecked | 78 |
| 35695407 | 10.1021/acs.jmedchem.2c00189 | ADMET | 9 |
| 35695407 | 10.1021/acs.jmedchem.2c00189 | SK-HEP1 | 8 |
| 35695407 | 10.1021/acs.jmedchem.2c00189 | HeLa | 4 |
| 35695407 | 10.1021/acs.jmedchem.2c00189 | HepG2 | 3 |
| 35695407 | 10.1021/acs.jmedchem.2c00189 | RISC-loading complex subunit TARBP2 | 3 |
| 35695407 | 10.1021/acs.jmedchem.2c00189 | Programmed cell death protein 4 | 2 |
| 35695407 | 10.1021/acs.jmedchem.2c00189 | microRNA 122 | 1 |
Data from ChEMBL 36 via Core Engine