Compound Detail
CHEMBL4760529
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 | CHEMBL4760529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCMIRCZFWKKDEP-JMICFKLVSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
0.75
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-937 CHEMBL612794 | IC50 | 5.83 | 5.83 | 1480.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-937 | IC50 | = | 1480.0 | nM | 5.83 | Cytotoxicity against human U-937 cells assessed as reduction in cell viability m... | 27318124 |
| K562 | IC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against human K562 cells assessed as reduction in cell viability me... | 27318124 |
| HT-29 | IC50 | = | 4200.0 | nM | 5.38 | Cytotoxicity against human HT-29 cells assessed as reduction in cell viability m... | 27318124 |
| MCF7 | IC50 | = | 4300.0 | nM | 5.37 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability me... | 27318124 |
| HeLa | IC50 | = | 4600.0 | nM | 5.34 | Cytotoxicity against human HeLa cells assessed as reduction in cell viability me... | 27318124 |
| A549 | IC50 | = | 6100.0 | nM | 5.21 | Cytotoxicity against human A549 cells assessed as reduction in cell viability me... | 27318124 |
| DU-145 | IC50 | = | 8900.0 | nM | 5.05 | Cytotoxicity against human DU-145 cells assessed as reduction in cell viability ... | 27318124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27318124 | 10.1016/j.ejmech.2016.06.002 | U-937 | 1 |
| 27318124 | 10.1016/j.ejmech.2016.06.002 | K562 | 1 |
| 27318124 | 10.1016/j.ejmech.2016.06.002 | HL-60 | 1 |
| 27318124 | 10.1016/j.ejmech.2016.06.002 | A549 | 1 |
| 27318124 | 10.1016/j.ejmech.2016.06.002 | MCF7 | 1 |
| 27318124 | 10.1016/j.ejmech.2016.06.002 | HeLa | 1 |
| 27318124 | 10.1016/j.ejmech.2016.06.002 | DU-145 | 1 |
| 27318124 | 10.1016/j.ejmech.2016.06.002 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine