Compound Detail
CHEMBL3298077
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 | CHEMBL3298077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCFKCYHPVDZAEW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
4.09
ALogP
7
HBA
2
HBD
98.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 4.88 | 4.88 | 13100.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.17 | 4.17 | 67200.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 13100.0 | nM | 4.88 | Antiproliferative activity against human MDA-MB-231 cells after 24 hrs by MTT as... | 24880230 |
| PC-3 | IC50 | = | 67200.0 | nM | 4.17 | Antiproliferative activity against human PC3 cells after 24 hrs by MTT assay | 24880230 |
| HEK293 | IC50 | = | 70000.0 | nM | 4.16 | Cytotoxicity against human HEK293 cells after 24 hrs by MTT assay | 24880230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24880230 | 10.1016/j.ejmech.2014.05.042 | MDA-MB-231 | 2 |
| 24880230 | 10.1016/j.ejmech.2014.05.042 | MCF7 | 1 |
| 24880230 | 10.1016/j.ejmech.2014.05.042 | PC-3 | 1 |
| 24880230 | 10.1016/j.ejmech.2014.05.042 | HCT-116 | 1 |
| 24880230 | 10.1016/j.ejmech.2014.05.042 | U-937 | 1 |
| 24880230 | 10.1016/j.ejmech.2014.05.042 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine