Compound Detail
CHEMBL4282142
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Basic Information
| ChEMBL ID | CHEMBL4282142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFUJOUKSEMOSNK-SNAWJCMRSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
1.85
ALogP
8
HBA
2
HBD
125.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.22
Kd 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NSCLC CHEMBL612554 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Non-small cell lung cancer cell line CHEMBL615002 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| NCI-H1573 CHEMBL1075515 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Connector enhancer of kinase suppressor of ras 1 CHEMBL4296242 | Kd | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NSCLC | IC50 | = | 6000.0 | nM | 5.22 | Antiproliferative activity against human NSCLC cells expressing mutant KRAS asse... | - |
| Non-small cell lung cancer cell line | IC50 | = | 23000.0 | nM | 4.64 | Growth inhibition of human NSCLC expressing mutant KRAS assessed as inhibition o... | - |
| NCI-H1573 | IC50 | = | 25000.0 | nM | 4.6 | Growth inhibition of human NCI-H1573 cells expressing wild type KRAS incubated f... | - |
| Connector enhancer of kinase suppressor of ras 1 | Kd | = | 36000.0 | nM | 4.44 | Binding affinity to N-terminal GST tagged CNK PH domain (unknown origin) by SPR ... | - |
Data from ChEMBL 36 via Core Engine