Compound Detail
CHEMBL113835
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Basic Information
| ChEMBL ID | CHEMBL113835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPLNCYRSCVJILM-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
2.70
ALogP
4
HBA
4
HBD
115.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.21
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.21 | 4.185 | 61800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 61800.0 | nM | 4.21 | Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in... | 9083483 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 68500.0 | nM | 4.16 | Inhibitory concentration of compound against strand transfer of HIV-1 integrase ... | 9083483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083483 | 10.1021/jm960759e | Human immunodeficiency virus type 1 integrase | 4 |
| 1704066 | 10.1021/jm00105a053 | Human immunodeficiency virus 1 | 2 |
| 1704066 | 10.1021/jm00105a053 | Human immunodeficiency virus 2 | 1 |
| 1704066 | 10.1021/jm00105a053 | MT4 | 1 |
| 17368023 | 10.1016/j.bmcl.2007.02.069 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 20006515 | 10.1016/j.bmc.2009.11.050 | DNA (cytosine-5)-methyltransferase 1 | 1 |
| 20006515 | 10.1016/j.bmc.2009.11.050 | DNA (cytosine-5)-methyltransferase 3B | 1 |
| 34510899 | 10.1021/acs.jmedchem.1c00852 | High mobility group protein B1 | 1 |
Data from ChEMBL 36 via Core Engine