Compound Detail
CHEMBL310293
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=c1c(C(c2ccc3c(c2)Cc2ccccc2-3)c2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL310293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVPLYGRRAAHKCO-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
6.06
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.31
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.11 | 5.018 | 7800.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 7800.0 | nM | 5.11 | Integration of DNA by HIV -1 integrase | 9003523 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 9500.0 | nM | 5.02 | Integration of DNA by HIV -1 integrase | 9003523 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against 3'-processing of DNA by HIV-1 integrase | 9003523 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against 3'-processing of DNA by HIV-1 integrase | 9003523 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 11000.0 | nM | 4.96 | Inhibitory activity against 3'-processing of DNA by HIV-1 integrase | 9003523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9003523 | 10.1021/jm960450v | Human immunodeficiency virus type 1 integrase | 5 |
| 9003523 | 10.1021/jm960450v | ADMET | 1 |
Data from ChEMBL 36 via Core Engine