Compound Detail
CHEMBL3331172
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 | CHEMBL3331172 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDJQQPBTALNFAS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.44
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.36 | 4.36 | 43400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 43400.0 | nM | 4.36 | Antiproliferative activity against human HMEC1 cells after 72 hrs | 25128665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25128665 | 10.1016/j.ejmech.2014.08.017 | NON-PROTEIN TARGET | 1 |
| 25128665 | 10.1016/j.ejmech.2014.08.017 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine