Compound Detail
CHEMBL4572531
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Basic Information
| ChEMBL ID | CHEMBL4572531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMTGUEFAXALUTH-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
2.96
ALogP
4
HBA
1
HBD
61.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription initiation factor TFIID subunit 1 CHEMBL3217390 | IC50 | 7.05 | 6.035 | 89.0 | 2 |
| Chromatin remodeling regulator CECR2 CHEMBL3108639 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.82 | 5.56 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription initiation factor TFIID subunit 1 | IC50 | = | 89.0 | nM | 7.05 | Inhibition of recombinant His-tagged TAF1 bromodomain 2 (unknown origin) after 1... | 30289257 |
| Chromatin remodeling regulator CECR2 | IC50 | = | 550.0 | nM | 6.26 | Inhibition of recombinant His-tagged CECR2 (unknown origin) after 10 mins by TR-... | 30289257 |
| Bromodomain-containing protein 9 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of recombinant His-tagged BRD9 (unknown origin) after 10 mins by TR-F... | 30289257 |
| Bromodomain-containing protein 4 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of recombinant His-tagged BRD4 bromodomain 1 (unknown origin) after 1... | 30289257 |
| Bromodomain-containing protein 4 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of recombinant His-tagged BRD4 bromodomain 2 (unknown origin) after 1... | 30289257 |
| Transcription initiation factor TFIID subunit 1 | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of recombinant His-tagged TAF1 bromodomain 1 (unknown origin) after 1... | 30289257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30289257 | 10.1021/acs.jmedchem.8b01225 | Bromodomain-containing protein 4 | 2 |
| 30289257 | 10.1021/acs.jmedchem.8b01225 | Transcription initiation factor TFIID subunit 1 | 2 |
| 30289257 | 10.1021/acs.jmedchem.8b01225 | Bromodomain-containing protein 9 | 1 |
| 30289257 | 10.1021/acs.jmedchem.8b01225 | Chromatin remodeling regulator CECR2 | 1 |
| 30289257 | 10.1021/acs.jmedchem.8b01225 | CREB-binding protein | 1 |
Data from ChEMBL 36 via Core Engine