Compound Detail
CHEMBL155600
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 | CHEMBL155600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXCSCGGRLMRZMF-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
3.02
ALogP
10
HBA
0
HBD
92.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MIA PaCa-2 CHEMBL614725 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MIA PaCa-2 | IC50 | = | 7000.0 | nM | 5.16 | Antiproliferative activity against MiaPaCa2 cells after 72 hrs by MTT assay | 17300184 |
| NCI-H460 | IC50 | = | 9000.0 | nM | 5.05 | Antiproliferative activity against H460 cells after 72 hrs by MTT assay | 17300184 |
| HeLa | IC50 | = | 11000.0 | nM | 4.96 | Antiproliferative activity against HeLa cells after 72 hrs by MTT assay | 17300184 |
| SW-620 | IC50 | = | 17000.0 | nM | 4.77 | Antiproliferative activity against SW620 cells after 72 hrs by MTT assay | 17300184 |
| MCF7 | IC50 | = | 30000.0 | nM | 4.52 | Antiproliferative activity against MCF7 cells after 72 hrs by MTT assay | 17300184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6220152 | 10.1021/jm00358a025 | Gallus gallus | 1 |
| 17300184 | 10.1021/jm061162u | NCI-H460 | 1 |
| 17300184 | 10.1021/jm061162u | HeLa | 1 |
| 17300184 | 10.1021/jm061162u | MIA PaCa-2 | 1 |
| 17300184 | 10.1021/jm061162u | SW-620 | 1 |
| 17300184 | 10.1021/jm061162u | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine