Compound Detail
CHEMBL4742360
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 | CHEMBL4742360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCNJMIDGXLYLCP-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
4.91
ALogP
4
HBA
1
HBD
52.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SEM CHEMBL4296493 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 8.12 | 8.12 | 7.5 | 1 |
| HeLa CHEMBL399 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| A549 CHEMBL392 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 6.78 | 6.78 | 168.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SEM | IC50 | = | 1.7 | nM | 8.77 | Antiproliferative activity against human SEM cells assessed as reduction in cell... | 33550186 |
| CCRF-CEM | IC50 | = | 7.5 | nM | 8.12 | Antiproliferative activity against human CCRF-CEM cells assessed as reduction in... | 33550186 |
| HeLa | IC50 | = | 26.0 | nM | 7.58 | Antiproliferative activity against human HeLa cells assessed as reduction in cel... | 33550186 |
| A549 | IC50 | = | 28.0 | nM | 7.55 | Antiproliferative activity against human A549 cells assessed as reduction in cel... | 33550186 |
| HT-29 | IC50 | = | 28.0 | nM | 7.55 | Antiproliferative activity against human HT-29 cells assessed as reduction in ce... | 33550186 |
| HL-60 | IC50 | = | 168.0 | nM | 6.78 | Antiproliferative activity against human HL-60 cells assessed as reduction in ce... | 33550186 |
| Unchecked | IC50 | = | 660.0 | nM | 6.18 | Inhibition of bovine brain tubulin polymerization incubated for 15 mins followed... | 33550186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33550186 | 10.1016/j.ejmech.2021.113229 | HeLa | 14 |
| 33550186 | 10.1016/j.ejmech.2021.113229 | Unchecked | 6 |
| 33550186 | 10.1016/j.ejmech.2021.113229 | HT-29 | 4 |
| 33550186 | 10.1016/j.ejmech.2021.113229 | PBL | 2 |
| 33550186 | 10.1016/j.ejmech.2021.113229 | CCRF-CEM | 1 |
| 33550186 | 10.1016/j.ejmech.2021.113229 | HL-60 | 1 |
| 33550186 | 10.1016/j.ejmech.2021.113229 | SEM | 1 |
| 33550186 | 10.1016/j.ejmech.2021.113229 | A549 | 1 |
| 33550186 | 10.1016/j.ejmech.2021.113229 | Cyclin-dependent kinase 1 | 1 |
| 33550186 | 10.1016/j.ejmech.2021.113229 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine