Compound Detail
CHEMBL3259887
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Basic Information
| ChEMBL ID | CHEMBL3259887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUDAEBWBOLPSTF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.7
MW (Da)
5.25
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.8
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 270.0 | nM | 6.57 | Inhibition of HIV1 integrase by LTR cleavage assay | 24900852 |
| Human immunodeficiency virus 1 | EC50 | = | 16000.0 | nM | 4.8 | Antiviral activity against HIV1 HxB2 harboring integrase A124/T125 mutant by cel... | 24900852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900852 | 10.1021/ml500002n | Human immunodeficiency virus type 1 integrase | 1 |
| 24900852 | 10.1021/ml500002n | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine