Compound Detail
CHEMBL2440825
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 | CHEMBL2440825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKEKFSWXCJQIJQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.26
ALogP
5
HBA
2
HBD
60.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.99
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-MEL-5 | IC50 | = | 10130.0 | nM | 4.99 | Antiproliferative activity against human SK-MEL-5 cells assessed as cell growth ... | 32216987 |
| SK-MEL-28 | IC50 | = | 13450.0 | nM | 4.87 | Antiproliferative activity against human SK-MEL-28 cells assessed as cell growth... | 32216987 |
| Unchecked | IC50 | = | 15100.0 | nM | 4.82 | Inhibition of RyR2 R4496C mutant (unknown origin)-mediated store-overload induce... | 24124794 |
| A-375 | IC50 | = | 18870.0 | nM | 4.72 | Antiproliferative activity against human A375 cells assessed as cell growth inhi... | 32216987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24124794 | 10.1021/jm401090a | Unchecked | 1 |
| 32216987 | 10.1016/j.bmc.2020.115404 | SK-MEL-5 | 1 |
| 32216987 | 10.1016/j.bmc.2020.115404 | SK-MEL-28 | 1 |
| 32216987 | 10.1016/j.bmc.2020.115404 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine