Compound Detail
CHEMBL132122
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Basic Information
| ChEMBL ID | CHEMBL132122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWKIPRVERALPRD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
3.75
ALogP
5
HBA
1
HBD
51.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.77 | 5.6533 | 170.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 6.0 | nM | 8.22 | Concentration required to inhibit 50% viral production of human immunodeficiency... | 15801834 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 170.0 | nM | 6.77 | HIV-1 reverse transcriptase inhibitory activity against Wild Type Reverse transc... | 10514285 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3800.0 | nM | 5.42 | HIV-1 reverse transcriptase inhibitory activity against Asn103 mutant using (pol... | 10514285 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 17100.0 | nM | 4.77 | HIV-1 reverse transcriptase inhibitory activity against Ile 100 mutant using (po... | 10514285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514285 | 10.1021/jm990095j | Human immunodeficiency virus type 1 reverse transcriptase | 8 |
| 10514285 | 10.1021/jm990095j | MT4 | 1 |
| 15801834 | 10.1021/jm049606e | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine