Compound Detail
CHEMBL2011500
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Basic Information
| ChEMBL ID | CHEMBL2011500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLXSCTYHLQHQDJ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
366.2
MW (Da)
3.41
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 5.02
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Friend leukemia integration 1 transcription factor (Proto-oncogene Fli-1)/RNA-binding protein EWS CHEMBL3885568 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| EWS-Fli1 protein CHEMBL2010625 | Kd | 5.02 | 5.02 | 9480.0 | 1 |
| Transcriptional regulator ERG CHEMBL1293191 | Kd | 4.93 | 4.93 | 11700.0 | 1 |
| ETS translocation variant 1 CHEMBL2010626 | Kd | 4.76 | 4.76 | 17400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Friend leukemia integration 1 transcription factor (Proto-oncogene Fli-1)/RNA-binding protein EWS | IC50 | = | 350.0 | nM | 6.46 | Inhibition of transcriptional activity of full-length EWS-FLI1 (unknown origin) ... | 25432018 |
| EWS-Fli1 protein | Kd | = | 9480.0 | nM | 5.02 | Inhibition of interaction of EWS-Fli1 to GST-tagged RNA Helicase A (647-1075) by... | 22230199 |
| Transcriptional regulator ERG | Kd | = | 11700.0 | nM | 4.93 | Binding affinity to ERG by surface plasmon resonance | 22230199 |
| ETS translocation variant 1 | Kd | = | 17400.0 | nM | 4.76 | Binding affinity to ETV1 by surface plasmon resonance | 22230199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25432018 | 10.1021/jm501372p | NON-PROTEIN TARGET | 2 |
| 25432018 | 10.1021/jm501372p | ADMET | 2 |
| 25432018 | 10.1021/jm501372p | Friend leukemia integration 1 transcription factor (Proto-oncogene Fli-1)/RNA-binding protein EWS | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 22230199 | 10.1016/j.bmc.2011.11.071 | EWS-Fli1 protein | 1 |
| 22230199 | 10.1016/j.bmc.2011.11.071 | Transcriptional regulator ERG | 1 |
| 22230199 | 10.1016/j.bmc.2011.11.071 | ETS translocation variant 1 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine