Compound Detail
CHEMBL1734009
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Basic Information
| ChEMBL ID | CHEMBL1734009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKIUWQHZRMYIIV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
1.68
ALogP
5
HBA
1
HBD
73.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha CHEMBL3108638 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.42 | 4.3133 | 38300.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of recombinant human His-tagged TRIM24-PHD/bromodomain expressed in E... | 26061247 |
| Unchecked | IC50 | = | 38300.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of B... | - |
| Unchecked | IC50 | = | 51800.0 | nM | 4.29 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | IC50 | = | 59300.0 | nM | 4.23 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26061247 | 10.1021/acs.jmedchem.5b00405 | Transcription intermediary factor 1-alpha | 1 |
Data from ChEMBL 36 via Core Engine