Compound Detail
CHEMBL2159040
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Basic Information
| ChEMBL ID | CHEMBL2159040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGVDNMHICOLRSK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.72
ALogP
4
HBA
1
HBD
63.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 440.0 | nM | 6.36 | 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