Compound Detail
CHEMBL330919
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Basic Information
| ChEMBL ID | CHEMBL330919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKFULXUNGOGTPS-CQMSUOBXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.1
MW (Da)
0.10
ALogP
6
HBA
2
HBD
133.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.96 | 5.95 | 1100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1100.0 | nM | 5.96 | Inhibition of HIV-1 replication in human peripheral blood mononuclear cells. | 3339606 |
| Human immunodeficiency virus 1 | EC50 | = | 1140.0 | nM | 5.94 | Antiviral activity against HIV I strain (LAV) in human peripheral blood mononucl... | 2918508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3339606 | 10.1021/jm00397a011 | Human immunodeficiency virus 1 | 1 |
| 2918508 | 10.1021/jm00123a018 | Human immunodeficiency virus 1 | 1 |
| 2918508 | 10.1021/jm00123a018 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine