Compound Detail
CHEMBL312608
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Basic Information
| ChEMBL ID | CHEMBL312608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAEJJAIMPDXNDF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
2.30
ALogP
6
HBA
5
HBD
140.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 900.0 | nM | 6.05 | In vitro inhibition of recombinant integrase activity in a standard 3'-processin... | 15109635 |
| Human immunodeficiency virus 1 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of particle production in de novo infection assay of HIV infected CEM... | 15109635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15109635 | 10.1016/j.bmcl.2004.03.005 | Human immunodeficiency virus type 1 integrase | 1 |
| 15109635 | 10.1016/j.bmcl.2004.03.005 | Human immunodeficiency virus 1 | 1 |
| 15109635 | 10.1016/j.bmcl.2004.03.005 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine