Compound Detail
CHEMBL2012671
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Basic Information
| ChEMBL ID | CHEMBL2012671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPCMLKLBMSFTTJ-QRPMWFLTSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
-1.65
ALogP
8
HBA
4
HBD
139.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 8.85 | 8.56 | 1.4 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.82 | 8.82 | 1.5 | 1 |
| HeLa CHEMBL399 | EC50 | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 1.4 | nM | 8.85 | Tested in vitro against HIV-1 LAI from MT-4 cells using MTT assay | 11087576 |
| Human immunodeficiency virus 1 | EC50 | = | 1.5 | nM | 8.82 | Antiviral activity against HIV-1 infected in human MT-4 cells assessed as inhibi... | 23795238 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 5.4 | nM | 8.27 | Tested in vitro against HIV-1 MDR using MAGI assay | 11087576 |
| HeLa | EC50 | = | 7.1 | nM | 8.15 | Tested in vitro against HIV-1 104pre from HeLa-CD4-LT4-beta gal-cells using MAGI... | 11087576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11087576 | 10.1021/jm000209n | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 23795238 | 10.1021/ml2001054 | Influenza A virus | 2 |
| 23795238 | 10.1021/ml2001054 | Sindbis virus | 1 |
| 23795238 | 10.1021/ml2001054 | Influenza B virus | 1 |
| 23795238 | 10.1021/ml2001054 | Felid alphaherpesvirus 1 | 1 |
| 23795238 | 10.1021/ml2001054 | Feline coronavirus | 1 |
| 23795238 | 10.1021/ml2001054 | Respiratory syncytial virus | 1 |
| 23795238 | 10.1021/ml2001054 | Vesicular stomatitis virus | 1 |
| 23795238 | 10.1021/ml2001054 | Punta Toro virus | 1 |
| 23795238 | 10.1021/ml2001054 | Coxsackievirus B4 | 1 |
| 23795238 | 10.1021/ml2001054 | Mammalian orthoreovirus 1 | 1 |
| 23795238 | 10.1021/ml2001054 | Human respirovirus 3 | 1 |
| 23795238 | 10.1021/ml2001054 | Unchecked | 1 |
| 23795238 | 10.1021/ml2001054 | MT4 | 1 |
| 23795238 | 10.1021/ml2001054 | Human immunodeficiency virus 1 | 1 |
| 11087576 | 10.1021/jm000209n | HeLa | 1 |
| 11087576 | 10.1021/jm000209n | MT4 | 1 |
Data from ChEMBL 36 via Core Engine