Compound Detail
CHEMBL263887
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Basic Information
| ChEMBL ID | CHEMBL263887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSJMBQKCHHBWBF-ODLFYWEKSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
4.03
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.07
EC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.5 | 5.5 | 3170.0 | 2 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.07 | 4.055 | 86080.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 3170.0 | nM | 5.5 | Antiviral activity against HIV1 3B assessed as inhibition of viral-induced cytop... | 18417342 |
| Human immunodeficiency virus 1 | EC50 | = | 3170.0 | nM | 5.5 | Antiviral activity against Human immunodeficiency virus 1 3B infected in human M... | 18541726 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 86080.0 | nM | 4.07 | Inhibition of HIV1 integrase | 18417342 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 86080.0 | nM | 4.07 | Inhibition of Human immunodeficiency virus 1 integrase | 18541726 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 92300.0 | nM | 4.04 | Inhibition of HIV1 integrase strand transfer activity | 18417342 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 92300.0 | nM | 4.04 | Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity | 18541726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18417342 | 10.1016/j.bmcl.2008.03.089 | 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