Compound Detail
CHEMBL3770188
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Basic Information
| ChEMBL ID | CHEMBL3770188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCZMLIMZGLNMQN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
2.78
ALogP
8
HBA
2
HBD
110.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | IC50 | = | 7.943 | nM | 8.1 | Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET ass... | 25856009 |
| Bromodomain-containing protein 4 | IC50 | = | 398.11 | nM | 6.4 | Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins ... | 25856009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25856009 | 10.1021/acs.jmedchem.5b00256 | Bromodomain-containing protein 9 | 1 |
| 25856009 | 10.1021/acs.jmedchem.5b00256 | Bromodomain-containing protein 4 | 1 |
| 25856009 | 10.1021/acs.jmedchem.5b00256 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine