Compound Detail
CHEMBL5170827
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 | CHEMBL5170827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZVILOLUKCJYAQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
4.09
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-375 CHEMBL613859 | IC50 | 4.24 | 4.24 | 58200.0 | 1 |
| HaCaT CHEMBL614392 | IC50 | 4.09 | 4.09 | 80700.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.06 | 4.06 | 87500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-375 | IC50 | = | 58200.0 | nM | 4.24 | Cytotoxicity against human A-375 cells assessed as reduction in cell viability i... | 35271771 |
| HaCaT | IC50 | = | 80700.0 | nM | 4.09 | Cytotoxicity against human HaCaT cells assessed as reduction in cell viability i... | 35271771 |
| MDA-MB-231 | IC50 | = | 87500.0 | nM | 4.06 | Cytotoxicity against human MDA-MB-231 cells assessed as reduction in cell viabil... | 35271771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35271771 | 10.1021/acs.jnatprod.1c01035 | ADMET | 3 |
| 35271771 | 10.1021/acs.jnatprod.1c01035 | A-375 | 1 |
| 35271771 | 10.1021/acs.jnatprod.1c01035 | HCT-116 | 1 |
| 35271771 | 10.1021/acs.jnatprod.1c01035 | MDA-MB-231 | 1 |
| 35271771 | 10.1021/acs.jnatprod.1c01035 | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine