Compound Detail
CHEMBL4640990
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 | CHEMBL4640990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAFXCRLTVRLBST-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
184.2
MW (Da)
1.63
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of HIF1alpha transcriptional activity in human HeLa cells transfected... | 31740202 |
| HeLa | IC50 | = | 49000.0 | nM | 4.31 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability in... | 31740202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31740202 | 10.1016/j.bmc.2019.115207 | HeLa | 1 |
| 31740202 | 10.1016/j.bmc.2019.115207 | Hypoxia-inducible factor 1-alpha | 1 |
Data from ChEMBL 36 via Core Engine