Compound Detail
CHEMBL4874167
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Basic Information
| ChEMBL ID | CHEMBL4874167 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSLBGKLETZVQLB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
2.51
ALogP
6
HBA
3
HBD
96.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription initiation factor TFIID subunit 1 CHEMBL3217390 | Ki | 7.3 | 7.3 | 50.1 | 1 |
| Transcription initiation factor TFIID subunit 1 CHEMBL3217390 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription initiation factor TFIID subunit 1 | Ki | = | 50.12 | nM | 7.3 | Inhibition of human partial length TAF1 bromodomain 2 (D1521 to D1656 residues) ... | 34413961 |
| Transcription initiation factor TFIID subunit 1 | IC50 | = | 3162.28 | nM | 5.5 | Displacement of Halo-tagged histone H4 from NanoLuc-tagged TAF1 bromodomain 2 (u... | 34413961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34413961 | 10.1021/acsmedchemlett.1c00294 | No relevant target | 2 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | Transcription initiation factor TFIID subunit 1 | 2 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | Unchecked | 1 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | ADMET | 1 |
| 34413961 | 10.1021/acsmedchemlett.1c00294 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine