Compound Detail
CHEMBL368084
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Basic Information
| ChEMBL ID | CHEMBL368084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDYHELXJYXKKRC-JYRVWZFOSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
2.91
ALogP
5
HBA
2
HBD
92.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
EC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 20.0 | nM | 7.7 | Concentration required to inhibit catalytic activity of human immuno deficiency ... | 15634005 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 20.0 | nM | 7.7 | Inhibitory concentration against human immunodeficiency virus type 1 integrase | 15743172 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 20.0 | nM | 7.7 | Strand transfer inhibitory activity against HIV-1 integrase | 16250669 |
| Human immunodeficiency virus 1 | EC50 | = | 140.0 | nM | 6.85 | Effective concentration of the compound to inhibit human immunodeficiency virus ... | 15743172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743172 | 10.1021/jm040158k | Human immunodeficiency virus 1 | 2 |
| 15634005 | 10.1021/jm0496077 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 15743172 | 10.1021/jm040158k | Human immunodeficiency virus type 1 integrase | 1 |
| 16250669 | 10.1021/jm050549e | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine