Compound Detail
CHEMBL502584
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Basic Information
| ChEMBL ID | CHEMBL502584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKZODDBFIUYYQQ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
1.85
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.91
EC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.91 | 5.91 | 1240.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1240.0 | nM | 5.91 | Inhibition of HIV1 integrase | 19053754 |
| Unchecked | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of HIV1 RNase H | 19053754 |
| Human immunodeficiency virus 1 | EC50 | = | 22000.0 | nM | 4.66 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 19053754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053754 | 10.1021/jm8007085 | Unchecked | 2 |
| 19053754 | 10.1021/jm8007085 | Human immunodeficiency virus type 1 integrase | 1 |
| 19053754 | 10.1021/jm8007085 | Human immunodeficiency virus 1 | 1 |
| 19053754 | 10.1021/jm8007085 | MT4 | 1 |
| 19053754 | 10.1021/jm8007085 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine