Compound Detail
CHEMBL2158981
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Basic Information
| ChEMBL ID | CHEMBL2158981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLKHMOTUSRFBSX-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.58
ALogP
5
HBA
1
HBD
57.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 7.0 | 6.925 | 100.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.89 | 6.7833 | 130.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 2 | EC50 | = | 100.0 | nM | 7.0 | Antiviral activity against HIV 2 ROD in HeLa-CD4/CCR5 cells assessed as inhibiti... | 23022280 |
| Human immunodeficiency virus 1 | EC50 | = | 130.0 | nM | 6.89 | Antiviral activity against HIV 1 BaL in HeLa-CD4/CCR5 cells assessed as inhibiti... | 23022280 |
| Human immunodeficiency virus 2 | EC50 | = | 140.0 | nM | 6.85 | Antiviral activity against HIV 2 EHO in HeLa-CD4/CCR5 cells assessed as inhibiti... | 23022280 |
| Human immunodeficiency virus 1 | EC50 | = | 150.0 | nM | 6.82 | Antiviral activity against HIV 1 in HeLa-CD4/CCR5 cells assessed as inhibition o... | 23022280 |
| Human immunodeficiency virus 1 | EC50 | = | 230.0 | nM | 6.64 | Antiviral activity against HIV 1 NL4-3 in HeLa-CD4/CCR5 cells assessed as inhibi... | 23022280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23022280 | 10.1016/j.bmc.2012.08.030 | Human immunodeficiency virus 1 | 5 |
| 23022280 | 10.1016/j.bmc.2012.08.030 | Human immunodeficiency virus 2 | 4 |
Data from ChEMBL 36 via Core Engine