Compound Detail
CHEMBL4455739
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Basic Information
| ChEMBL ID | CHEMBL4455739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCOUFBHYCURAJB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
4.71
ALogP
5
HBA
2
HBD
85.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase CHEMBL1075145 | IC50 | 7.08 | 7.08 | 82.8 | 1 |
| A549 CHEMBL392 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transitional endoplasmic reticulum ATPase | IC50 | = | 82.8 | nM | 7.08 | Inhibition of human p97 using ATP as substrate after 60 mins by ADP-Glo assay | 30606672 |
| A549 | IC50 | = | 2600.0 | nM | 5.58 | Antiproliferative activity against human A549 cells after 72 hrs by CCK-8 assay | 30606672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30606672 | 10.1016/j.bmc.2018.12.036 | A549 | 1 |
| 30606672 | 10.1016/j.bmc.2018.12.036 | Transitional endoplasmic reticulum ATPase | 1 |
Data from ChEMBL 36 via Core Engine