Compound Detail
CHEMBL66404
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Basic Information
| ChEMBL ID | CHEMBL66404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOFKLFWOTPCHJG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
271.4
MW (Da)
2.91
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.48 | 5.48 | 3320.0 | 1 |
| MT4 CHEMBL388 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.9 | 4.9 | 12500.0 | 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 | = | 3320.0 | nM | 5.48 | Inhibitory concentration against HIV-1 replication by interfering with virus rev... | 8667357 |
| MT4 | IC50 | = | 9800.0 | nM | 5.01 | Ability to block replication of HIV-1 virus in mock infected MT-4 cells | 1956037 |
| Human immunodeficiency virus 1 | IC50 | = | 12500.0 | nM | 4.9 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 1995896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995896 | 10.1021/jm00106a040 | MT4 | 2 |
| 8667357 | 10.1021/jm950589q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 1956037 | 10.1021/jm00115a007 | MT4 | 1 |
| 1995896 | 10.1021/jm00106a040 | Human immunodeficiency virus 1 | 1 |
| - | 10.1007/s00044-011-9742-x | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine