Compound Detail
CHEMBL2115443
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 | CHEMBL2115443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSEUJPGXPHRMRF-PHDIDXHHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
292.1
MW (Da)
-0.55
ALogP
7
HBA
2
HBD
99.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 4.8 | 4.8 | 15700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 15700.0 | nM | 4.8 | Tested in vitro for the antiviral assay in mitogen stimulated human peripheral b... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80870-2 | ADMET | 2 |
| - | 10.1016/0960-894X(95)00343-R | CCRF-CEM | 2 |
| - | 10.1016/S0960-894X(01)80870-2 | Vero | 1 |
| - | 10.1016/S0960-894X(01)80870-2 | MT4 | 1 |
| - | 10.1016/S0960-894X(01)80870-2 | CCRF-CEM | 1 |
| - | 10.1016/0960-894X(95)00343-R | Hepatoma cell line | 1 |
Data from ChEMBL 36 via Core Engine