Compound Detail
CHEMBL1360858
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Basic Information
| ChEMBL ID | CHEMBL1360858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRFIVCWVSORYRV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
2.89
ALogP
1
HBA
1
HBD
36.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | Kd | 4.07 | 4.07 | 84800.0 | 1 |
| CREB-binding protein CHEMBL5747 | Kd | 3.92 | 3.92 | 120700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | Kd | = | 84800.0 | nM | 4.07 | Binding affinity to human His10-tagged BRD4 expressed in Escherichia coli BL21(D... | 27994766 |
| CREB-binding protein | Kd | = | 120700.0 | nM | 3.92 | Binding affinity to human His10-tagged CREBBP expressed in Escherichia coli BL21... | 27994766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26295174 | 10.1016/j.ejmech.2015.07.047 | Plasmodium falciparum | 1 |
| 27994766 | 10.1021/acsmedchemlett.6b00154 | Bromodomain-containing protein 4 | 1 |
| 27994766 | 10.1021/acsmedchemlett.6b00154 | CREB-binding protein | 1 |
Data from ChEMBL 36 via Core Engine