Compound Detail
CHEMBL67451
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Basic Information
| ChEMBL ID | CHEMBL67451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCPJZHMZVKLMDI-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
3.31
ALogP
3
HBA
1
HBD
24.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.78 | 5.78 | 1659.6 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.78 | 5.78 | 1659.6 | 1 |
| MT4 CHEMBL388 | IC50 | 5.78 | 5.775 | 1670.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.78 | 5.78 | 1659.6 | 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 | = | 1670.0 | nM | 5.78 | Inhibitory concentration against HIV-1 replication by interfering with virus rev... | 8667357 |
| MT4 | IC50 | = | 1670.0 | nM | 5.78 | Effective concentration of compound required to achieve 50% protection of MT-4 c... | 7877143 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1659.59 | nM | 5.78 | Inhibition of HIV1 reverse transcriptase | 18760864 |
| Unchecked | IC50 | = | 1659.59 | nM | 5.78 | Inhibition of HIV reverse transcriptase | 20060625 |
| Human immunodeficiency virus 1 | IC50 | = | 1659.59 | nM | 5.78 | Antiviral activity against HIV1 infected in human MT4 cells assessed as protecti... | 20110136 |
| MT4 | IC50 | = | 1700.0 | nM | 5.77 | Ability to block replication of HIV-1 virus in mock infected MT-4 cells | 1956037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8667357 | 10.1021/jm950589q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7877143 | 10.1021/jm00005a005 | MT4 | 1 |
| 1956037 | 10.1021/jm00115a007 | MT4 | 1 |
| 18760864 | 10.1016/j.ejmech.2008.07.020 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 20060625 | 10.1016/j.ejmech.2009.12.028 | Unchecked | 1 |
| 20110136 | 10.1016/j.ejmech.2010.01.002 | 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