Compound Detail
CHEMBL2386684
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Basic Information
| ChEMBL ID | CHEMBL2386684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFRRIBXAXNNAMG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.2
MW (Da)
3.95
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.51 | 4.51 | 30900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 30900.0 | nM | 4.51 | Antiviral activity against HIV1 BAL infected in human TZM-bl cells assessed as i... | 27161874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23768434 | 10.1021/jm4003457 | Molecular identity unknown | 2 |
| 27161874 | 10.1016/j.bmc.2016.04.045 | Human immunodeficiency virus 1 | 2 |
| 27161874 | 10.1016/j.bmc.2016.04.045 | ADMET | 2 |
| 23768434 | 10.1021/jm4003457 | CHO | 1 |
| 27161874 | 10.1016/j.bmc.2016.04.045 | CHO | 1 |
Data from ChEMBL 36 via Core Engine