Compound Detail
CHEMBL465785
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 | CHEMBL465785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVYBAZCPWDLGCX-KHKWHVMBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.67
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 4.25 | 4.25 | 55980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 55980.0 | nM | 4.25 | Cytotoxicity against human KB cells assessed as reduction in cell viability by r... | 27311894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27311894 | 10.1016/j.bmcl.2016.06.007 | MCF7 | 2 |
| 27311894 | 10.1016/j.bmcl.2016.06.007 | Vero | 2 |
| 12828470 | 10.1021/np020556v | Human alphaherpesvirus 1 | 1 |
| 12828470 | 10.1021/np020556v | Estrogen receptor beta | 1 |
| 27311894 | 10.1016/j.bmcl.2016.06.007 | KB | 1 |
Data from ChEMBL 36 via Core Engine