Compound Detail
CHEMBL2158975
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Basic Information
| ChEMBL ID | CHEMBL2158975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTHDVRJXJNQSDG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.4
MW (Da)
2.59
ALogP
5
HBA
1
HBD
76.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.74 | 5.74 | 1810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1810.0 | nM | 5.74 | Antiviral activity against HIV 1 in HeLa-CD4/CCR5 cells assessed as inhibition o... | 23022280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23022280 | 10.1016/j.bmc.2012.08.030 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine