Compound Detail
CHEMBL2348624
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C#CCOCCOCCOCCOCCOCC#Cc1cc(C)c(Oc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL2348624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZXOISMXIFOQHU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
584.7
MW (Da)
4.57
ALogP
10
HBA
1
HBD
117.0
PSA (Ų)
0.17
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.19 | 7.05 | 64.0 | 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 | = | 64.0 | nM | 7.19 | Competitive inhibition of C-Terminal histidine-tagged wild type heterodimeric HI... | 23659183 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 122.0 | nM | 6.91 | 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 | 2 |
Data from ChEMBL 36 via Core Engine