Compound Detail
CHEMBL4282815
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Basic Information
| ChEMBL ID | CHEMBL4282815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLAGIQGKUGEHHX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.60
ALogP
5
HBA
3
HBD
97.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 5700.0 | nM | 5.24 | Reactivation of latent HIV1 infected in human U1 cells assessed as increase in p... | 29541372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29541372 | 10.1021/acsmedchemlett.8b00012 | Human immunodeficiency virus 1 | 6 |
| 29541372 | 10.1021/acsmedchemlett.8b00012 | Unchecked | 2 |
| 29541372 | 10.1021/acsmedchemlett.8b00012 | U-937 | 1 |
| 29541372 | 10.1021/acsmedchemlett.8b00012 | Histone deacetylase 1 | 1 |
| 29541372 | 10.1021/acsmedchemlett.8b00012 | Histone deacetylase 2 | 1 |
| 29541372 | 10.1021/acsmedchemlett.8b00012 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine