Compound Detail
CHEMBL3094523
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
Cc1cc(C#N)cc(C)c1Oc1cc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)nc(Nc2ccc(C#N)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL3094523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXIYDGNHIMKXBX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
607.7
MW (Da)
5.85
ALogP
10
HBA
2
HBD
144.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 58.0 | nM | 7.24 | Antiviral activity against HIV1 3B infected in human MT-4 cells assessed as prot... | 24239481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24239481 | 10.1016/j.bmcl.2013.10.059 | Human immunodeficiency virus 1 | 2 |
| 24239481 | 10.1016/j.bmcl.2013.10.059 | Unchecked | 2 |
| 24239481 | 10.1016/j.bmcl.2013.10.059 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine