Compound Detail
CHEMBL4854161
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Basic Information
| ChEMBL ID | CHEMBL4854161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUAWXQMTKGNBRT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
1.79
ALogP
6
HBA
3
HBD
113.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription initiation factor TFIID subunit 1 CHEMBL3217390 | Ki | 8.9 | 8.9 | 1.3 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | Ki | 6.1 | 6.1 | 794.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription initiation factor TFIID subunit 1 | Ki | = | 1.259 | nM | 8.9 | Inhibition of human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) ... | 34413961 |
| Bromodomain-containing protein 4 | Ki | = | 794.33 | nM | 6.1 | Inhibition of human partial length BRD4 BD1 (N44 to E168 residues) expressed in ... | 34413961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34413961 | 10.1021/acsmedchemlett.1c00294 | No relevant target | 2 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | Unchecked | 1 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | ADMET | 1 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | Transcription initiation factor TFIID subunit 1 | 1 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine