Compound Detail
CHEMBL360667
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(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL360667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGEYRNZLJKMQLY-ROBZXWEHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
541.8
MW (Da)
4.99
ALogP
5
HBA
0
HBD
70.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 5 CHEMBL274 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.96 | 6.96 | 111.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 5 | IC50 | = | 11.0 | nM | 7.96 | Inhibitory concentration against human C-C chemokine receptor type 5 in CHO cell... | 15686896 |
| Human immunodeficiency virus 1 | IC50 | = | 111.0 | nM | 6.96 | Antiviral activity in an in vitro HIV replication assay | 15686896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686896 | 10.1016/j.bmcl.2004.12.044 | C-C chemokine receptor type 5 | 1 |
| 15686896 | 10.1016/j.bmcl.2004.12.044 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine