Compound Detail
CHEMBL1481742
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Basic Information
| ChEMBL ID | CHEMBL1481742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWNPIGIJVNLLIF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
4.57
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of HIV-1 His6-tagged integrase interaction to FLAG-tagged LEDGF/p75 p... | 23445471 |
| Bromodomain-containing protein 4 | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of BRD4 BD1 (unknown origin) using biotin labelled NeC: SGRG-K(Ac)-GG... | 30529546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23445471 | 10.1021/jm301632e | Unchecked | 2 |
| 23445471 | 10.1021/jm301632e | Human immunodeficiency virus type 1 integrase | 2 |
| 30529546 | 10.1016/j.ejmech.2018.11.018 | Bromodomain-containing protein 4 | 2 |
| 23445471 | 10.1021/jm301632e | MT4 | 1 |
| 23445471 | 10.1021/jm301632e | Human immunodeficiency virus | 1 |
| 23445471 | 10.1021/jm301632e | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine