Compound Detail
CHEMBL1333600
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 | CHEMBL1333600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GESKGLZQRFOWRW-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1617688 |
| Active Moiety | CHEMBL1617688 |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
269.5
MW (Da)
2.63
ALogP
3
HBA
0
HBD
6.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.55
IC50 2 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.55 | 5.3567 | 28.0 | 3 |
| Runt-related transcription factor 1/Core-binding factor subunit beta CHEMBL2093862 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 5.11 | 5.11 | 7724.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 28.0 | nM | 7.55 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... | - |
| Runt-related transcription factor 1/Core-binding factor subunit beta | IC50 | = | 1350.0 | nM | 5.87 | PUBCHEM_BIOASSAY: uHTS identification of compounds inhibiting the binding betwee... | - |
| COUP transcription factor 2 | IC50 | = | 7724.0 | nM | 5.11 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Unchecked | EC50 | = | 53657.0 | nM | 4.27 | PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... | - |
| Unchecked | EC50 | = | 56309.0 | nM | 4.25 | PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine