Compound Detail
CHEMBL5687011
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Basic Information
| ChEMBL ID | CHEMBL5687011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZUWIJPTIMWJEC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
524.7
MW (Da)
7.15
ALogP
7
HBA
2
HBD
68.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SOS1-KRAS CHEMBL5465393 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SOS1-KRAS | IC50 | = | 470.0 | nM | 6.33 | Inhibition of N-terminal GST-tagged recombinant human KRAS G12C mutant (1 to 169... | 30683722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30683722 | 10.1073/pnas.1812963116 | SOS1-KRAS | 1 |
Data from ChEMBL 36 via Core Engine