Compound Detail
CHEMBL4168347
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 | CHEMBL4168347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHYLMZBHWMQBPO-VHEBQXMUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.33
ALogP
8
HBA
2
HBD
102.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.82 | 4.75 | 15000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability ir... | 29172077 |
| HeLa | IC50 | = | 21000.0 | nM | 4.68 | Cytotoxicity in human HeLa cells assessed as reduction in cell viability after 4... | 29172077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29172077 | 10.1016/j.ejmech.2017.11.012 | HeLa | 2 |
| 29172077 | 10.1016/j.ejmech.2017.11.012 | NCI-H157 | 2 |
| 29172077 | 10.1016/j.ejmech.2017.11.012 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine