Compound Detail
CHEMBL4069814
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Basic Information
| ChEMBL ID | CHEMBL4069814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFOYNDFIBXQVIO-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
2.66
ALogP
5
HBA
1
HBD
77.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peregrin CHEMBL3132741 | IC50 | 8.05 | 8.05 | 9.0 | 2 |
| Bromodomain-containing protein 1 CHEMBL2176774 | IC50 | 6.89 | 6.89 | 130.0 | 2 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 6.22 | 6.22 | 600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peregrin | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human BRPF1 (627 to 740 residues) expressed in Escherichia coli BL... | 28714688 |
| Peregrin | IC50 | = | 9.0 | nM | 8.05 | Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMO... | 28068087 |
| Bromodomain-containing protein 1 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human BRPF2 (556 to 688 residues) expressed in Escherichia coli BL... | 28714688 |
| Bromodomain-containing protein 1 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human BRPF2-BRD1 expressed in Escherichia coli BL21 after 1 hr by ... | 28068087 |
| Bromodomain-containing protein 4 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human BRD4 isoform long bromodomain 1 (44 to 168 residues) express... | 28714688 |
| Bromodomain-containing protein 4 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human BRD4-BD1 expressed in Escherichia coli BL21 after 1 hr by BR... | 28068087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28714688 | 10.1021/acs.jmedchem.7b00611 | Peregrin | 2 |
| 28714688 | 10.1021/acs.jmedchem.7b00611 | Bromodomain-containing protein 4 | 1 |
| 28714688 | 10.1021/acs.jmedchem.7b00611 | Bromodomain-containing protein 1 | 1 |
| 28068087 | 10.1021/acs.jmedchem.6b01583 | Unchecked | 1 |
| 28068087 | 10.1021/acs.jmedchem.6b01583 | Bromodomain-containing protein 4 | 1 |
| 28068087 | 10.1021/acs.jmedchem.6b01583 | Bromodomain-containing protein 1 | 1 |
| 28068087 | 10.1021/acs.jmedchem.6b01583 | Peregrin | 1 |
Data from ChEMBL 36 via Core Engine