Compound Detail
CHEMBL191020
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Basic Information
| ChEMBL ID | CHEMBL191020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWYMHLMQJIRSFD-KQQUZDAGSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
1.94
ALogP
8
HBA
4
HBD
149.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.4
EC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.4 | 5.35 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 2400.0 | nM | 5.62 | Antiviral activity against human immuno deficiency virus type 1 in HeLa H1-JC.37... | 15999991 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory concentration against 3'processing of HIV-1 Integrase | 15999991 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 5000.0 | nM | 5.3 | Inhibitory concentration against integration of HIV-1 Integrase | 15999991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15999991 | 10.1021/jm049171v | HeLa | 3 |
| 15999991 | 10.1021/jm049171v | Human immunodeficiency virus type 1 integrase | 2 |
Data from ChEMBL 36 via Core Engine