Compound Detail
CHEMBL3814602
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Basic Information
| ChEMBL ID | CHEMBL3814602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVGBDKUISALXAL-LLVKDONJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.25
ALogP
5
HBA
2
HBD
82.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.16
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| CREB-binding protein CHEMBL5747 | EC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 250.0 | nM | 6.6 | Displacement of biotinylated ligand from recombinant His-tagged CBP (unknown ori... | 27190605 |
| CREB-binding protein | EC50 | = | 7000.0 | nM | 5.16 | Inhibition of Halo-tagged histone H3.3 binding to CBP (unknown origin) expressed... | 27190605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27190605 | 10.1021/acsmedchemlett.6b00075 | CREB-binding protein | 3 |
| 27190605 | 10.1021/acsmedchemlett.6b00075 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine