Compound Detail
CHEMBL35109
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Basic Information
| ChEMBL ID | CHEMBL35109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIBQKRNTWLEWHF-WMZJFQQLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
289.7
MW (Da)
2.12
ALogP
5
HBA
3
HBD
107.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.19 | 5.325 | 650.0 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 650.0 | nM | 6.19 | Inhibitory effect on strand transfer of proximal DNA into host DNA in an extrace... | 12109903 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2300.0 | nM | 5.64 | Concentration required to inhibit catalytic activity of human immuno deficiency ... | 15634005 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 35000.0 | nM | 4.46 | Inhibitory effect on 3'-processing(3'-P) of proximal DNA in an extracellular HIV... | 12109903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063607 | 10.1021/jm000194t | Human immunodeficiency virus type 1 integrase | 2 |
| 12109903 | 10.1021/jm020037p | Human immunodeficiency virus type 1 integrase | 2 |
| 12109903 | 10.1021/jm020037p | NON-PROTEIN TARGET | 2 |
| 15006380 | 10.1016/j.bmcl.2004.01.027 | Human immunodeficiency virus type 1 integrase | 1 |
| 15634005 | 10.1021/jm0496077 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine