Compound Detail
CHEMBL2041788
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Basic Information
| ChEMBL ID | CHEMBL2041788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLUINPJNECTRBI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
429.3
MW (Da)
3.68
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.05
IC50 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.05 | 7.135 | 9.0 | 2 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 9.0 | nM | 8.05 | Antiviral activity against HIV1 SF33 infected in human MT4 cells assessed as inh... | 22283377 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 43.0 | nM | 7.37 | Inhibition of HIV1 reverse transcriptase using poly(ra)/oligo(dT)15 homopolymer ... | 22283377 |
| Human immunodeficiency virus 1 | EC50 | = | 601.0 | nM | 6.22 | Antiviral activity against NNRTI-resistant HIV1 A17 expressing reverse transcrip... | 22283377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22283377 | 10.1021/jm201506e | Human immunodeficiency virus 1 | 3 |
| 22283377 | 10.1021/jm201506e | Unchecked | 2 |
| 22283377 | 10.1021/jm201506e | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 22283377 | 10.1021/jm201506e | MT4 | 1 |
Data from ChEMBL 36 via Core Engine