Compound Detail
CHEMBL265438
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Basic Information
| ChEMBL ID | CHEMBL265438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJQGZRUBLIAVFY-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.24
ALogP
4
HBA
2
HBD
66.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.24
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.24 | 5.185 | 5770.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 5.01 | 5.01 | 9730.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.64 | 4.64 | 22750.0 | 1 |
| 2-5A-dependent ribonuclease CHEMBL3575 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 5770.0 | nM | 5.24 | Inhibition of GST-tagged BRD4 bromodomain (unknown origin) using biotinylated hi... | 32153186 |
| Bromodomain-containing protein 4 | IC50 | = | 7320.0 | nM | 5.13 | Inhibition of His/thioredoxin-tagged human recombinant BRD4 bromodomain-1 (43 to... | 29172540 |
| HCT-116 | IC50 | = | 9730.0 | nM | 5.01 | Antiproliferative activity against human HCT116 cells assessed as reduction in c... | 32153186 |
| MCF7 | IC50 | = | 22750.0 | nM | 4.64 | Antiproliferative activity against human MCF7 cells after 24 hrs by MTT assay | 29172540 |
| 2-5A-dependent ribonuclease | EC50 | = | 26000.0 | nM | 4.58 | Activation of human recombinant Rnase L assessed as cleavage of FRET RNA probe | 17535916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29172540 | 10.1021/acs.jmedchem.7b00275 | Bromodomain-containing protein 4 | 2 |
| 17535916 | 10.1073/pnas.0700590104 | 2-5A-dependent ribonuclease | 1 |
| 29172540 | 10.1021/acs.jmedchem.7b00275 | MCF7 | 1 |
| 29172540 | 10.1021/acs.jmedchem.7b00275 | MDA-MB-231 | 1 |
| 32153186 | 10.1021/acs.jmedchem.9b02178 | Bromodomain-containing protein 4 | 1 |
| 32153186 | 10.1021/acs.jmedchem.9b02178 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine