Compound Detail
CHEMBL5207470
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Basic Information
| ChEMBL ID | CHEMBL5207470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXCRXRKPZWPTGN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.9
MW (Da)
4.60
ALogP
6
HBA
1
HBD
77.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 7.26 | 7.26 | 55.2 | 1 |
| LNCaP C4-2B CHEMBL4296461 | IC50 | 5.03 | 5.03 | 9280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 55.23 | nM | 7.26 | Inhibition of His6-tagged human CBP bromodomain (1081 to 1197 residues) expresse... | 34962793 |
| LNCaP C4-2B | IC50 | = | 9280.0 | nM | 5.03 | Antiproliferative activity against human LNCaP C4-2B cells assessed as inhibitio... | 34962793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34962793 | 10.1021/acs.jmedchem.1c01864 | CREB-binding protein | 3 |
| 34962793 | 10.1021/acs.jmedchem.1c01864 | LNCaP C4-2B | 1 |
Data from ChEMBL 36 via Core Engine