Compound Detail
CHEMBL4855456
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Basic Information
| ChEMBL ID | CHEMBL4855456 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZDIVCSVYIVOCO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
3.11
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription initiation factor TFIID subunit 1 CHEMBL3217390 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
| ATPase family AAA domain-containing protein 2 CHEMBL2150837 | IC50 | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription initiation factor TFIID subunit 1 | IC50 | = | 316.23 | nM | 6.5 | Inhibition of TAF1 bromodomain 2 (unknown origin) by TR-FRET assay | 34413961 |
| Bromodomain-containing protein 4 | IC50 | = | 1995.26 | nM | 5.7 | Inhibition of BRD4 BD1 (unknown origin) by TR-FRET assay | 34413961 |
| ATPase family AAA domain-containing protein 2 | IC50 | = | 2511.89 | nM | 5.6 | Inhibition of ATAD2 (unknown origin) by TR-FRET assay | 34413961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34413961 | 10.1021/acsmedchemlett.1c00294 | Unchecked | 2 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | No relevant target | 2 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | Transcription initiation factor TFIID subunit 1 | 1 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | Bromodomain-containing protein 4 | 1 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | ATPase family AAA domain-containing protein 2 | 1 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine