Compound Detail
CHEMBL4743540
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Basic Information
| ChEMBL ID | CHEMBL4743540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUICABMRXTUSBQ-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
437.3
MW (Da)
4.00
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.68 | 7.66 | 21.0 | 2 |
| Bromodomain-containing protein 2 CHEMBL1293289 | IC50 | 7.66 | 7.535 | 22.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 5.29 | 5.29 | 5110.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.02 | 5.02 | 9470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of BRD4 BD2 (unknown origin) preincubated for 15 mins followed by pep... | 32883643 |
| Bromodomain-containing protein 2 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of BRD2 BD2 (unknown origin) preincubated for 15 mins followed by pep... | 32883643 |
| Bromodomain-containing protein 4 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of BRD4 BD1 (unknown origin) preincubated for 15 mins followed by pep... | 32883643 |
| Bromodomain-containing protein 2 | IC50 | = | 39.0 | nM | 7.41 | Inhibition of BRD2 BD1 (unknown origin) preincubated for 15 mins followed by pep... | 32883643 |
| HL-60 | IC50 | = | 620.0 | nM | 6.21 | Antiproliferative activity against human HL60 cells incubated for 72 hrs by CCK8... | 32883643 |
| WI-38 | IC50 | = | 5110.0 | nM | 5.29 | Antiproliferative activity against human WI-38 cells incubated for 72 hrs by MTT... | 32883643 |
| HT-29 | IC50 | = | 9470.0 | nM | 5.02 | Antiproliferative activity against human HT29 cells incubated for 72 hrs by MTT ... | 32883643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32883643 | 10.1016/j.ejmech.2020.112780 | Bromodomain-containing protein 4 | 3 |
| 32883643 | 10.1016/j.ejmech.2020.112780 | Bromodomain-containing protein 2 | 2 |
| 32883643 | 10.1016/j.ejmech.2020.112780 | HL-60 | 1 |
| 32883643 | 10.1016/j.ejmech.2020.112780 | HT-29 | 1 |
| 32883643 | 10.1016/j.ejmech.2020.112780 | WI-38 | 1 |
Data from ChEMBL 36 via Core Engine