Compound Detail
CHEMBL4647718
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CCC(c1ccccn1)(c1ccccn1)n1ccc2c(NS(=O)(=O)CC)cc(-c3cn(C)c4c(=O)[nH]ccc34)cc21
Basic Information
| ChEMBL ID | CHEMBL4647718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBSKJKYNRNKLDP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
566.7
MW (Da)
5.24
ALogP
7
HBA
2
HBD
114.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.2 | nM | 8.66 | Growth inhibition of fulvestrant-resistant human MCF7:CFR cells measured after 5... | 32453591 |
| Bromodomain-containing protein 4 | IC50 | = | 9.4 | nM | 8.03 | Displacement of APC-labeled biotinylated-avidin from Euphorium-chelated recombin... | 32453591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32453591 | 10.1021/acs.jmedchem.0c00456 | Bromodomain-containing protein 4 | 1 |
| 32453591 | 10.1021/acs.jmedchem.0c00456 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine