Compound Detail
CHEMBL5282775
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C[C@@H](Nc1ncnc2c1cc(C1CCN(C(=O)C3CCN(C)CC3)CC1)c(=O)n2C)c1cc(N)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL5282775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXQAJKQSSNSMQS-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
571.6
MW (Da)
4.15
ALogP
8
HBA
2
HBD
109.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Son of sevenless homolog 1 CHEMBL2079846 | IC50 | 6.77 | 6.77 | 171.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Son of sevenless homolog 1 | IC50 | = | 171.0 | nM | 6.77 | Inhibition of 6His-tagged SOS1 (unknown origin) mediated GST-tagged KRAS G12D ac... | 36793426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36793426 | 10.1021/acsmedchemlett.2c00490 | Son of sevenless homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine