Compound Detail
CHEMBL5193742
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)Oc1ccccc1-c1cn(C)c(=O)c2[nH]c(C(=O)NCc3ccc(C(=O)NCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL5193742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCNSBZXEZZGTJU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
785.9
MW (Da)
4.27
ALogP
10
HBA
5
HBD
200.8
PSA (Ų)
0.08
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 7.36 | 7.36 | 43.7 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.08 | 7.06 | 83.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 43.67 | nM | 7.36 | Antiproliferative activity against human MV4-11 cells incubated for 72 hrs by CC... | 35395439 |
| Bromodomain-containing protein 4 | IC50 | = | 83.65 | nM | 7.08 | Inhibition of BRD4-BD1 (unknown origin) preincubated for 30 mins followed by sub... | 35395439 |
| Bromodomain-containing protein 4 | IC50 | = | 91.49 | nM | 7.04 | Inhibition of BRD4-BD2 (unknown origin) preincubated for 30 mins followed by sub... | 35395439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35395439 | 10.1016/j.ejmech.2022.114259 | Bromodomain-containing protein 4 | 6 |
| 35395439 | 10.1016/j.ejmech.2022.114259 | MV4-11 | 3 |
Data from ChEMBL 36 via Core Engine