Compound Detail
CHEMBL2165294
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Basic Information
| ChEMBL ID | CHEMBL2165294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABCRBEXBTOTNJG-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
5.54
ALogP
7
HBA
2
HBD
121.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.39 | 8.1825 | 4.1 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 40.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 3.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4.1 | nM | 8.39 | Antiviral activity against multidrug-resistant HIV-1 RTMDR infected in human TZM... | 22856541 |
| Human immunodeficiency virus 1 | EC50 | = | 4.32 | nM | 8.37 | Antiviral activity against HIV-1 NL4-3 infected in human TZM-bl cells assessed a... | 22856541 |
| Human immunodeficiency virus 1 | EC50 | = | 7.5 | nM | 8.12 | Antiviral activity against HIV-1 harboring reverse transcriptase E138K mutant in... | 22856541 |
| Human immunodeficiency virus 1 | EC50 | = | 14.0 | nM | 7.85 | Antiviral activity against HIV-1 harboring reverse transcriptase K101E mutant in... | 22856541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22856541 | 10.1021/jm3007678 | Human immunodeficiency virus 1 | 7 |
| 22856541 | 10.1021/jm3007678 | No relevant target | 3 |
| 22856541 | 10.1021/jm3007678 | Liver microsomes | 2 |
| 22856541 | 10.1021/jm3007678 | Unchecked | 1 |
| 22856541 | 10.1021/jm3007678 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine