Compound Detail
CHEMBL3771005
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Basic Information
| ChEMBL ID | CHEMBL3771005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFSPUQBCFUGQNP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
3.79
ALogP
7
HBA
1
HBD
91.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peregrin CHEMBL3132741 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| Transcription intermediary factor 1-alpha CHEMBL3108638 | IC50 | 5.83 | 5.83 | 1470.0 | 1 |
| Bromodomain-containing protein 1 CHEMBL2176774 | IC50 | 5.62 | 5.62 | 2380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peregrin | IC50 | = | 680.0 | nM | 6.17 | Inhibition of BRPF1B (unknown origin) by Alpha Screen assay | 25974391 |
| Transcription intermediary factor 1-alpha | IC50 | = | 1470.0 | nM | 5.83 | Inhibition of N-terminal His6-SUMO-1-tagged recombinant human TRIM24 bromodomain... | 25974391 |
| Bromodomain-containing protein 1 | IC50 | = | 2380.0 | nM | 5.62 | Inhibition of BRPF2 BRD1 (unknown origin) by Alpha Screen assay | 25974391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25974391 | 10.1021/acs.jmedchem.5b00458 | Transcription intermediary factor 1-alpha | 1 |
| 25974391 | 10.1021/acs.jmedchem.5b00458 | Peregrin | 1 |
| 25974391 | 10.1021/acs.jmedchem.5b00458 | Bromodomain-containing protein 1 | 1 |
Data from ChEMBL 36 via Core Engine