Compound Detail
CHEMBL4588783
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 | CHEMBL4588783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAQVJKBFAUVHEW-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
4.54
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 8.81 | 8.81 | 1.6 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Mitogen-activated protein kinase 3 CHEMBL3385 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.82 | 6.82 | 150.4 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 6.77 | 6.77 | 170.5 | 1 |
| WM 266-4 CHEMBL4296510 | IC50 | 6.66 | 6.66 | 219.9 | 1 |
| SW626 CHEMBL1075593 | IC50 | 6.59 | 6.59 | 254.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 1.55 | nM | 8.81 | Antiproliferative activity against human K562 cells after 72 hrs by MTT assay | 30605831 |
| Mitogen-activated protein kinase 1 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of ERK2 (unknown origin) using lipid as substrate after 40 mins by AD... | 30605831 |
| Mitogen-activated protein kinase 3 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of ERK1 (unknown origin) using lipid as substrate after 40 mins by AD... | 30605831 |
| HCT-116 | IC50 | = | 150.44 | nM | 6.82 | Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay | 30605831 |
| COLO 205 | IC50 | = | 170.49 | nM | 6.77 | Antiproliferative activity against human COLO205 cells after 72 hrs by MTT assay | 30605831 |
| WM 266-4 | IC50 | = | 219.89 | nM | 6.66 | Antiproliferative activity against human WM266.4 cells after 72 hrs by MTT assay | 30605831 |
| SW626 | IC50 | = | 254.71 | nM | 6.59 | Antiproliferative activity against human SW626 cells after 72 hrs by MTT assay | 30605831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30605831 | 10.1016/j.ejmech.2018.12.040 | COLO 205 | 1 |
| 30605831 | 10.1016/j.ejmech.2018.12.040 | SW626 | 1 |
| 30605831 | 10.1016/j.ejmech.2018.12.040 | WM 266-4 | 1 |
| 30605831 | 10.1016/j.ejmech.2018.12.040 | HCT-116 | 1 |
| 30605831 | 10.1016/j.ejmech.2018.12.040 | Mitogen-activated protein kinase 3 | 1 |
| 30605831 | 10.1016/j.ejmech.2018.12.040 | Mitogen-activated protein kinase 1 | 1 |
| 30605831 | 10.1016/j.ejmech.2018.12.040 | K562 | 1 |
Data from ChEMBL 36 via Core Engine