Compound Detail
CHEMBL2348625
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Cc1cc(C#CCOCCOCCOCCOCCOCC#Cc2cn([C@H]3C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c(=O)[nH]c2=O)cc(C)c1Oc1ccnc(Nc2ccc(C#N)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL2348625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATYKKTVKFKHXRG-KLESUSOLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1032.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 8.52 | 7.95 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3.0 | nM | 8.52 | Competitive inhibition of C-Terminal histidine-tagged wild type heterodimeric HI... | 23659183 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 42.0 | nM | 7.38 | Competitive inhibition of C-Terminal histidine-tagged wild type heterodimeric HI... | 23659183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23659183 | 10.1021/jm400160s | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
Data from ChEMBL 36 via Core Engine