Compound Detail
CHEMBL4451466
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Basic Information
| ChEMBL ID | CHEMBL4451466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUOCRUVCTAFMCF-BQYQJAHWSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
3.56
ALogP
8
HBA
2
HBD
101.9
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.8
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Connector enhancer of kinase suppressor of ras 1 CHEMBL4296242 | Kd | 6.8 | 6.8 | 157.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Connector enhancer of kinase suppressor of ras 1 | Kd | = | 157.0 | nM | 6.8 | Binding affinity to CNKSR1 PH-domain (unknown origin) by SPR spectroscopy | - |
| A549 | IC50 | = | 75000.0 | nM | 4.12 | Growth inhibition of human A549 cells incubated for 3 days | - |
Data from ChEMBL 36 via Core Engine