Compound Detail
CHEMBL260398
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Basic Information
| ChEMBL ID | CHEMBL260398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWKJVBVXVPBXIB-WQRHYEAKSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
4.03
ALogP
7
HBA
1
HBD
87.0
PSA (Ų)
0.25
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.18
EC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.18 | 6.018 | 660.0 | 5 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.39 | 5.39 | 4090.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 660.0 | nM | 6.18 | Inhibition of HIV1 integrase strand transfer activity | 18417342 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 660.0 | nM | 6.18 | Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity | 18541726 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1240.0 | nM | 5.91 | Inhibition of HIV1 integrase | 18417342 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1240.0 | nM | 5.91 | Inhibition of HIV-1 integrase after 1 hr by ELISA | 21227550 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1240.0 | nM | 5.91 | Inhibition of Human immunodeficiency virus 1 integrase | 18541726 |
| Human immunodeficiency virus 1 | EC50 | = | 4090.0 | nM | 5.39 | Antiviral activity against HIV1 3B assessed as inhibition of viral-induced cytop... | 18417342 |
| Human immunodeficiency virus 1 | EC50 | = | 4090.0 | nM | 5.39 | Antiviral activity against Human immunodeficiency virus 1 3B infected in human M... | 18541726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18417342 | 10.1016/j.bmcl.2008.03.089 | Human immunodeficiency virus type 1 integrase | 2 |
| 21227550 | 10.1016/j.ejmech.2010.12.012 | Human immunodeficiency virus type 1 integrase | 2 |
| 18541726 | 10.1128/aac.00210-08 | Human immunodeficiency virus type 1 integrase | 2 |
| 18417342 | 10.1016/j.bmcl.2008.03.089 | Human immunodeficiency virus 1 | 1 |
| 18417342 | 10.1016/j.bmcl.2008.03.089 | MT4 | 1 |
| 18417342 | 10.1016/j.bmcl.2008.03.089 | Unchecked | 1 |
| 18541726 | 10.1128/aac.00210-08 | Human immunodeficiency virus 1 | 1 |
| 18541726 | 10.1128/aac.00210-08 | MT4 | 1 |
| 18541726 | 10.1128/aac.00210-08 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine