Compound Detail
CHEMBL565544
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
CN(Cc1nc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2[nH]1)C1CCCc2cccnc21
Basic Information
| ChEMBL ID | CHEMBL565544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRQWAUZUMZKUFF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
4.52
ALogP
6
HBA
1
HBD
77.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.57 | 6.57 | 271.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 271.0 | nM | 6.57 | Antiviral activity against HIV1 3B infected in human HOS cells | 19640718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19640718 | 10.1016/j.bmcl.2009.07.037 | Human immunodeficiency virus 1 | 1 |
| 19640718 | 10.1016/j.bmcl.2009.07.037 | HOS | 1 |
| 19640718 | 10.1016/j.bmcl.2009.07.037 | C-X-C chemokine receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine