Compound Detail
CHEMBL2367975
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Basic Information
| ChEMBL ID | CHEMBL2367975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTTFZWRVGJHJQX-PRJMDXOYSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
257.2
MW (Da)
-1.84
ALogP
7
HBA
4
HBD
121.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.22
EC50 3 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.22 | 7.11 | 60.0 | 2 |
| Variola virus CHEMBL613494 | EC50 | 6.29 | 6.29 | 510.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.27 | 5.27 | 5340.0 | 1 |
| West Nile virus CHEMBL613730 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.56 | 4.56 | 27400.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.29 | 4.29 | 51800.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.13 | 4.13 | 73700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 60.0 | nM | 7.22 | The compound was evaluated for the antiviral activity against HIV-1 in human PBM... | 11689085 |
| Human immunodeficiency virus 1 | IC50 | = | 100.0 | nM | 7.0 | The compound was evaluated for the antiviral activity against HIV-1 in human PBM... | 11689085 |
| Variola virus | EC50 | = | 510.0 | nM | 6.29 | Antiviral activity against Variola virus 7124 infected in monkey LLC-MK2 cells | 36961984 |
| Human immunodeficiency virus 1 | EC50 | = | 5340.0 | nM | 5.27 | In vitro antiviral activity against HIV-1 in human PBM cells. | 11689085 |
| West Nile virus | EC50 | = | 15000.0 | nM | 4.82 | In vitro antiviral activity against West Nile Virus. | 11689085 |
| Vero | IC50 | = | 27400.0 | nM | 4.56 | In vitro cytotoxicity in vero cells. | 11689085 |
| CCRF-CEM | IC50 | = | 51800.0 | nM | 4.29 | In vitro cytotoxicity in CEM cells. | 11689085 |
| ADMET | IC50 | = | 73700.0 | nM | 4.13 | In vitro cytotoxicity in PBM cells. | 11689085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11689085 | 10.1021/jm010256v | Human immunodeficiency virus 1 | 3 |
| 11689085 | 10.1021/jm010256v | West Nile virus | 1 |
| 11689085 | 10.1021/jm010256v | ADMET | 1 |
| 11689085 | 10.1021/jm010256v | Vero | 1 |
| 11689085 | 10.1021/jm010256v | CCRF-CEM | 1 |
| 36961984 | 10.1021/acs.jmedchem.3c00069 | Variola virus | 1 |
Data from ChEMBL 36 via Core Engine