Compound Detail
CHEMBL4215928
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 | CHEMBL4215928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJTLIAHUYANYQR-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
5.24
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW620/AD300 CHEMBL4630776 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.48 | 6.115 | 330.0 | 2 |
| M14 CHEMBL614317 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| WM164 CHEMBL4630701 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| KB 3-1 CHEMBL614590 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW620/AD300 | IC50 | = | 30.0 | nM | 7.52 | Cytotoxicity against human SW620/AD300 cells assessed as reduction in cell viabi... | 29501942 |
| SW-620 | IC50 | = | 150.0 | nM | 6.82 | Cytotoxicity against human SW620 cells assessed as reduction in cell viability a... | 29501942 |
| Unchecked | IC50 | = | 330.0 | nM | 6.48 | Cytotoxicity against human KB-C2 cells assessed as reduction in cell viability a... | 29501942 |
| M14 | IC50 | = | 800.0 | nM | 6.1 | Growth inhibition of human M14 cells after 72 hrs by MTS assay | 29501942 |
| A-375 | IC50 | = | 900.0 | nM | 6.05 | Growth inhibition of human A375 cells after 72 hrs by MTS assay | 29501942 |
| WM164 | IC50 | = | 1100.0 | nM | 5.96 | Growth inhibition of human WM164 cells after 72 hrs by MTS assay | 29501942 |
| KB 3-1 | IC50 | = | 1250.0 | nM | 5.9 | Cytotoxicity against human KB-3-1 cells assessed as reduction in cell viability ... | 29501942 |
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | Growth inhibition of human M14/MDR1 cells after 72 hrs by MTS assay | 29501942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29501942 | 10.1016/j.ejmech.2018.02.045 | Unchecked | 5 |
| 29501942 | 10.1016/j.ejmech.2018.02.045 | WM164 | 1 |
| 29501942 | 10.1016/j.ejmech.2018.02.045 | A-375 | 1 |
| 29501942 | 10.1016/j.ejmech.2018.02.045 | RPMI-7951 | 1 |
| 29501942 | 10.1016/j.ejmech.2018.02.045 | M14 | 1 |
| 29501942 | 10.1016/j.ejmech.2018.02.045 | KB 3-1 | 1 |
| 29501942 | 10.1016/j.ejmech.2018.02.045 | SW-620 | 1 |
| 29501942 | 10.1016/j.ejmech.2018.02.045 | SW620/AD300 | 1 |
Data from ChEMBL 36 via Core Engine