Compound Detail
CHEMBL5198394
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Basic Information
| ChEMBL ID | CHEMBL5198394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFOSEOLXWOXFQF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.4
MW (Da)
3.43
ALogP
7
HBA
2
HBD
97.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CREB-binding protein CHEMBL5747 | IC50 | 7.92 | 7.46 | 12.0 | 2 |
| LNCaP C4-2B CHEMBL4296461 | IC50 | 5.02 | 5.02 | 9570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein | IC50 | = | 12.04 | nM | 7.92 | Inhibition of His6-tagged human CBP bromodomain (1081 to 1197 residues) expresse... | 34962793 |
| CREB-binding protein | IC50 | = | 100.67 | nM | 7.0 | Inhibition of human CBP bromodomain (R1081 to G1197 residues) expressed in Esche... | 36695774 |
| LNCaP C4-2B | IC50 | = | 9570.0 | nM | 5.02 | 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 |
| 36695774 | 10.1021/acs.jmedchem.2c01638 | CREB-binding protein | 1 |
Data from ChEMBL 36 via Core Engine