Compound Detail
CHEMBL394847
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Basic Information
| ChEMBL ID | CHEMBL394847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBSMKNIEBKYDJI-OLZOCXBDSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
1.27
ALogP
6
HBA
2
HBD
87.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4729.75 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 12.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 100.0 | % | Rattus norvegicus |
| T1/2 | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of HIV integrase activity by HIV strand transfer assay | 17824681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17824681 | 10.1021/jm0704705 | Rattus norvegicus | 4 |
| 17824681 | 10.1021/jm0704705 | Human immunodeficiency virus 1 | 2 |
| 17824681 | 10.1021/jm0704705 | Plasma | 2 |
| 17824681 | 10.1021/jm0704705 | Human immunodeficiency virus type 1 integrase | 1 |
| 17824681 | 10.1021/jm0704705 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine