Compound Detail
CHEMBL456365
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Basic Information
| ChEMBL ID | CHEMBL456365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILTKHGJVTJFJEH-OYKKKHCWSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
3.98
ALogP
7
HBA
1
HBD
88.8
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.64
EC50 2 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.08 | 5.735 | 830.0 | 2 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.64 | 5.605 | 2300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 830.0 | nM | 6.08 | Antiviral activity against HIV1 3B infected in human HeLa cells expressing CD4-L... | 24684270 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of recombinant HIV1 integrase strand transfer activity by high throug... | 18646746 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based a... | 18646746 |
| Human immunodeficiency virus 1 | EC50 | = | 4100.0 | nM | 5.39 | Antiviral activity against HIV1-infected in human H9/HTLV 3B cells after 4 days | 18646746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18646746 | 10.1021/jm8001422 | Human immunodeficiency virus type 1 integrase | 4 |
| 24684270 | 10.1021/jm5001503 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 18646746 | 10.1021/jm8001422 | Unchecked | 1 |
| 18646746 | 10.1021/jm8001422 | U-937 | 1 |
| 18646746 | 10.1021/jm8001422 | Human immunodeficiency virus 1 | 1 |
| 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