Compound Detail
CHEMBL4103077
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Basic Information
| ChEMBL ID | CHEMBL4103077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQDXWIYREJVTTB-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
2.54
ALogP
7
HBA
1
HBD
110.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peregrin CHEMBL3132741 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Bromodomain-containing protein 1 CHEMBL2176774 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Bromodomain and PHD finger-containing protein 3 CHEMBL3108644 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peregrin | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human BRPF1 (627 to 740 residues) expressed in Escherichia coli BL... | 28714688 |
| Bromodomain-containing protein 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human BRPF2 (556 to 688 residues) expressed in Escherichia coli BL... | 28714688 |
| Bromodomain-containing protein 9 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of human BRD9 (130 to 259 residues) expressed in Escherichia coli BL2... | 28714688 |
| Bromodomain and PHD finger-containing protein 3 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human BRPF3 (588 to 701 residues) expressed in Escherichia coli BL... | 28714688 |
| Bromodomain-containing protein 4 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human BRD4 isoform long bromodomain 1 (44 to 168 residues) express... | 28714688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28714688 | 10.1021/acs.jmedchem.7b00611 | Unchecked | 2 |
| 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 9 | 1 |
| 28714688 | 10.1021/acs.jmedchem.7b00611 | Bromodomain and PHD finger-containing protein 3 | 1 |
| 28714688 | 10.1021/acs.jmedchem.7b00611 | Bromodomain-containing protein 1 | 1 |
Data from ChEMBL 36 via Core Engine