Compound Detail
CHEMBL4084303
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 | CHEMBL4084303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAQCUBBJWISOAO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
3.44
ALogP
7
HBA
0
HBD
94.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 68000.0 | nM | 4.17 | Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay | 28351590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28351590 | 10.1016/j.bmcl.2017.03.039 | A549 | 1 |
| 28351590 | 10.1016/j.bmcl.2017.03.039 | HCT-116 | 1 |
| 28351590 | 10.1016/j.bmcl.2017.03.039 | ZR-75-30 | 1 |
Data from ChEMBL 36 via Core Engine