Compound Detail
CHEMBL563898
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Basic Information
| ChEMBL ID | CHEMBL563898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSTKSXZFVKVFBY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
1.62
ALogP
5
HBA
3
HBD
115.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.01 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of recombinant HIV-1 integrase strand transfer activity | 19616948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19616948 | 10.1016/j.bmcl.2009.06.091 | No relevant target | 3 |
| 19616948 | 10.1016/j.bmcl.2009.06.091 | Human immunodeficiency virus type 1 integrase | 1 |
| 19616948 | 10.1016/j.bmcl.2009.06.091 | Human immunodeficiency virus 1 | 1 |
| 19616948 | 10.1016/j.bmcl.2009.06.091 | Plasma | 1 |
| 19616948 | 10.1016/j.bmcl.2009.06.091 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine