Compound Detail
CHEMBL377759
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL377759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXPPJCCGUFQJSD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
2.39
ALogP
5
HBA
2
HBD
95.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.8 | mL.min-1.kg-1 | 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 | = | 25.0 | nM | 7.6 | Inhibition of strand transfer process of HIV1 integrase | 16554152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16554152 | 10.1016/j.bmcl.2006.03.003 | MT4 | 2 |
| 16554152 | 10.1016/j.bmcl.2006.03.003 | Human immunodeficiency virus type 1 integrase | 1 |
| 16554152 | 10.1016/j.bmcl.2006.03.003 | Plasma | 1 |
| 16554152 | 10.1016/j.bmcl.2006.03.003 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine