Compound Detail
CHEMBL2041789
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Basic Information
| ChEMBL ID | CHEMBL2041789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQMBQEBBNCRMDO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
1.19
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.21
IC50 1 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.79 | 6.79 | 162.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.21 | 6.21 | 614.0 | 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 | = | 162.0 | nM | 6.79 | Inhibition of HIV1 reverse transcriptase using poly(ra)/oligo(dT)15 homopolymer ... | 22283377 |
| Human immunodeficiency virus 1 | EC50 | = | 614.0 | nM | 6.21 | Antiviral activity against HIV1 SF33 infected in human MT4 cells assessed as inh... | 22283377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22283377 | 10.1021/jm201506e | Human immunodeficiency virus 1 | 2 |
| 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