Compound Detail
CHEMBL230556
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 | CHEMBL230556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJTAFQAKQZNDGA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
2.28
ALogP
4
HBA
2
HBD
66.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 4.5 | 4.5 | 31900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 31900.0 | nM | 4.5 | Cytotoxicity against human PBM cells | 17587572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17587572 | 10.1016/j.bmcl.2007.06.024 | SVR | 2 |
| 17587572 | 10.1016/j.bmcl.2007.06.024 | Human immunodeficiency virus 1 | 2 |
| 17587572 | 10.1016/j.bmcl.2007.06.024 | ADMET | 1 |
| 17587572 | 10.1016/j.bmcl.2007.06.024 | CCRF-CEM | 1 |
| 17587572 | 10.1016/j.bmcl.2007.06.024 | Vero | 1 |
Data from ChEMBL 36 via Core Engine