Compound Detail
CHEMBL4753080
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Basic Information
| ChEMBL ID | CHEMBL4753080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOLHNCATQIAQLA-MRXNPFEDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
3.48
ALogP
6
HBA
2
HBD
84.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein polybromo-1 CHEMBL1795184 | Kd | 6.04 | 5.785 | 911.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein polybromo-1 | Kd | = | 911.0 | nM | 6.04 | Binding affinity to polybromo-1 (3) (unknown origin) by ITC analysis | 33216538 |
| Protein polybromo-1 | Kd | = | 2940.0 | nM | 5.53 | Binding affinity to polybromo-1 (4) (unknown origin) by ITC analysis | 33216538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Protein polybromo-1 | 8 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Transcription activator BRG1 | 1 |
| 33216538 | 10.1021/acs.jmedchem.0c01242 | Probable global transcription activator SNF2L2 | 1 |
Data from ChEMBL 36 via Core Engine