Compound Detail
CHEMBL4457300
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 | CHEMBL4457300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNBGSXWIUUIPDD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
2.73
ALogP
6
HBA
1
HBD
72.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GTPase KRas CHEMBL2189121 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GTPase KRas | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ... | 30613331 |
| Unchecked | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of ERK phosphorylation in human NCI-H358 cells | 34520956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30613331 | 10.1021/acsmedchemlett.8b00382 | GTPase KRas | 3 |
| 34520956 | 10.1016/j.ejmech.2021.113816 | GTPase KRas | 1 |
| 34520956 | 10.1016/j.ejmech.2021.113816 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine