Compound Detail
CHEMBL313405
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Basic Information
| ChEMBL ID | CHEMBL313405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOKOHDQTKSROQZ-UHFFFAOYSA-N |
1
Targets
14
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
375.8
MW (Da)
3.79
ALogP
6
HBA
3
HBD
116.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 8.52
IC50 7 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.52 | 7.1486 | 3.0 | 7 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.52 | 7.1486 | 3.0 | 7 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 67500.0 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115397 | 10.1021/jm030558s | Human immunodeficiency virus 1 | 7 |
| 35981459 | 10.1016/j.ejmech.2022.114645 | Human immunodeficiency virus 1 | 7 |
| 15771441 | 10.1021/jm049439i | ADMET | 1 |
| 15771441 | 10.1021/jm049439i | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine