Compound Detail
CHEMBL83412
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Basic Information
| ChEMBL ID | CHEMBL83412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKAIXITUVPCYNR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
3.90
ALogP
4
HBA
2
HBD
54.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| CEM-SS CHEMBL614548 | IC50 | 8.1 | 8.1 | 8.0 | 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 | = | 8.0 | nM | 8.1 | In vitro inhibitory concentration against HIV-1 reverse transcriptase using rC-d... | 7678654 |
| CEM-SS | IC50 | = | 8.0 | nM | 8.1 | Tested for inhibitory concentration on HIV-I Lai wild type in CEM-SS cell line | 11052800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7678654 | 10.1021/jm00054a009 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7678654 | 10.1021/jm00054a009 | MT4 | 1 |
| 11052800 | 10.1021/jm0009437 | CEM-SS | 1 |
Data from ChEMBL 36 via Core Engine