Compound Detail
CHEMBL4463165
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Basic Information
| ChEMBL ID | CHEMBL4463165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHRIDKDAONJZLF-QGZVFWFLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.67
ALogP
5
HBA
0
HBD
54.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MM1.S CHEMBL4296471 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 8.29 | 8.285 | 5.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MM1.S | IC50 | = | 3.9 | nM | 8.41 | Antiproliferative activity against human MM1S cells after 72 hrs by CCK8 or SRB ... | 31490070 |
| Bromodomain-containing protein 4 | IC50 | = | 5.1 | nM | 8.29 | Fluorescence Polarization Assay: Expression and purification of the BRD4(I) reco... | - |
| Bromodomain-containing protein 4 | IC50 | = | 5.2 | nM | 8.28 | Displacement of 5-FITC labelled (+)-JQ1 from His6-tagged human BRD4 bromodomain ... | 31490070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31490070 | 10.1021/acs.jmedchem.9b01094 | Bromodomain-containing protein 4 | 3 |
| 31490070 | 10.1021/acs.jmedchem.9b01094 | Bromodomain-containing protein 2 | 2 |
| 31490070 | 10.1021/acs.jmedchem.9b01094 | ADMET | 2 |
| 31490070 | 10.1021/acs.jmedchem.9b01094 | Cytochrome P450 2C9 | 2 |
| 31490070 | 10.1021/acs.jmedchem.9b01094 | Cytochrome P450 2C19 | 2 |
| 31490070 | 10.1021/acs.jmedchem.9b01094 | Cytochrome P450 2D6 | 2 |
| 31490070 | 10.1021/acs.jmedchem.9b01094 | Cytochrome P450 3A4 | 2 |
| 31490070 | 10.1021/acs.jmedchem.9b01094 | Cytochrome P450 1A2 | 2 |
| 31490070 | 10.1021/acs.jmedchem.9b01094 | MM1.S | 1 |
| 31490070 | 10.1021/acs.jmedchem.9b01094 | Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine