Compound Detail
CHEMBL4214821
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Basic Information
| ChEMBL ID | CHEMBL4214821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAFVPHKBLSOUIV-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
471.0
MW (Da)
3.66
ALogP
6
HBA
1
HBD
39.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.85
EC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Son of sevenless homolog 1 CHEMBL2079846 | Kd | 6.85 | 6.85 | 140.0 | 3 |
| Son of sevenless homolog 1 CHEMBL2079846 | EC50 | 5.22 | 5.18 | 6000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Son of sevenless homolog 1 | Kd | = | 140.0 | nM | 6.85 | Binding affinity to human recombinant N-terminal His6-tagged SOS1 (564 to 1049 r... | 30205005 |
| Son of sevenless homolog 1 | Kd | = | 140.0 | nM | 6.85 | Binding affinity to IVLM methyl-labeled SOS1 catalytic domain (566 to 1046 resid... | 32673492 |
| Son of sevenless homolog 1 | Kd | = | 140.0 | nM | 6.85 | Binding affinity to SOS1 in human NCI-H358 cells expressing KRAS G12C mutant ass... | 38430853 |
| Son of sevenless homolog 1 | EC50 | = | 6000.0 | nM | 5.22 | Activation of SOS1 in human HeLa cells expressing wild type KRAS assessed as ind... | 30205005 |
| Son of sevenless homolog 1 | EC50 | = | 7300.0 | nM | 5.14 | Activation of SOS1 in human NCI-H727 cells expressing KRAS G12V mutant assessed ... | 30205005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30205005 | 10.1021/acs.jmedchem.8b01108 | Son of sevenless homolog 1 | 10 |
| 32673492 | 10.1021/acs.jmedchem.0c00511 | Son of sevenless homolog 1 | 1 |
| 38430853 | 10.1016/j.ejmech.2024.116282 | Son of sevenless homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine