Compound Detail
CHEMBL1164820
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 | CHEMBL1164820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJJVDYUOTKHCBA-ROUUACIJSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
3.44
ALogP
8
HBA
2
HBD
111.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.35 | 4.315 | 45000.0 | 2 |
| B16-F10 CHEMBL612656 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
| OE33 CHEMBL1075556 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 45000.0 | nM | 4.35 | Anticancer activity against human OE21 cells after 24 hrs by MTT assay | 20466556 |
| NON-PROTEIN TARGET | IC50 | = | 53000.0 | nM | 4.28 | Anticancer activity against human U373 cells after 24 hrs by MTT assay | 20466556 |
| B16-F10 | IC50 | = | 59000.0 | nM | 4.23 | Anticancer activity against mouse B16F10 cells after 24 hrs by MTT assay | 20466556 |
| LoVo | IC50 | = | 64000.0 | nM | 4.19 | Anticancer activity against human LoVo cells after 24 hrs by MTT assay | 20466556 |
| MCF7 | IC50 | = | 75000.0 | nM | 4.12 | Anticancer activity against human MCF7 cells after 24 hrs by MTT assay | 20466556 |
| A549 | IC50 | = | 76000.0 | nM | 4.12 | Anticancer activity against human A549 cells after 24 hrs by MTT assay | 20466556 |
| OE33 | IC50 | = | 77000.0 | nM | 4.11 | Anticancer activity against human OE33 cells after 24 hrs by MTT assay | 20466556 |
| PC-3 | IC50 | = | 77000.0 | nM | 4.11 | Anticancer activity against human PC3 cells after 24 hrs by MTT assay | 20466556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20466556 | 10.1016/j.bmc.2010.04.047 | NON-PROTEIN TARGET | 3 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | LoVo | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | T98G | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | No relevant target | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | B16-F10 | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | OE33 | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | PC-3 | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | MCF7 | 1 |
| 20466556 | 10.1016/j.bmc.2010.04.047 | A549 | 1 |
Data from ChEMBL 36 via Core Engine