Compound Detail
CHEMBL3403945
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Basic Information
| ChEMBL ID | CHEMBL3403945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWPWTAAPSGWHNY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
266.4
MW (Da)
3.83
ALogP
3
HBA
0
HBD
15.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus CHEMBL613758 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against HIV 3B assessed as inhibition of infection of NCK45-b... | 25744188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25744188 | 10.1016/j.bmc.2015.02.015 | Human immunodeficiency virus | 1 |
| 25744188 | 10.1016/j.bmc.2015.02.015 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine