Compound Detail
CHEMBL3238132
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Basic Information
| ChEMBL ID | CHEMBL3238132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKDDADZFUNGYKM-UUYOSTAYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
2.73
ALogP
7
HBA
2
HBD
109.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.1 | 5.995 | 80.0 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.58 | 4.58 | 26300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of HIV1 integrase strand transfer activity by gel-based assay | 24684270 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of HIV1 RNase H function of recombinant reverse transcriptase using a... | 24684270 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of HIV1 integrase 3'-processing activity by gel-based assays | 24684270 |
| Human immunodeficiency virus 1 | EC50 | = | 26300.0 | nM | 4.58 | Antiviral activity against HIV1 3B infected in human HeLa cells expressing CD4-L... | 24684270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24684270 | 10.1021/jm5001503 | Human immunodeficiency virus type 1 integrase | 3 |
| 24684270 | 10.1021/jm5001503 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 24684270 | 10.1021/jm5001503 | Human immunodeficiency virus 1 | 1 |
| 24684270 | 10.1021/jm5001503 | HeLa | 1 |
| 24684270 | 10.1021/jm5001503 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine