Compound Detail
CHEMBL594713
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 | CHEMBL594713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEZRPMYBTDVFLM-QURGRASLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
3.84
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Huh-7 CHEMBL614039 | IC50 | 4.7 | 4.7 | 19900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Huh-7 | IC50 | = | 19900.0 | nM | 4.7 | Antiproliferative activity against human HuH7 cells after 72 hrs by MTT assay | 19783149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19783149 | 10.1016/j.bmc.2009.09.008 | Huh-7 | 1 |
| 19783149 | 10.1016/j.bmc.2009.09.008 | K562 | 1 |
| 19783149 | 10.1016/j.bmc.2009.09.008 | HL-60 | 1 |
| 19783149 | 10.1016/j.bmc.2009.09.008 | HCT-116 | 1 |
| 19783149 | 10.1016/j.bmc.2009.09.008 | ADMET | 1 |
| 19783149 | 10.1016/j.bmc.2009.09.008 | Cyclin-dependent kinase 2/cyclin A | 1 |
Data from ChEMBL 36 via Core Engine