Compound Detail
CHEMBL5169564
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Basic Information
| ChEMBL ID | CHEMBL5169564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILBDBWRMOHLKOZ-LLVKDONJSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
4.84
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.02
Ki 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Son of sevenless homolog 1 CHEMBL2079846 | Ki | 7.28 | 7.28 | 52.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.02 | 6.02 | 958.0 | 1 |
| MKN-1 CHEMBL614352 | IC50 | 6.02 | 6.02 | 958.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Son of sevenless homolog 1 | Ki | = | 52.0 | nM | 7.28 | Binding affinity to N-terminal his-TEV-Avi-tagged human recombinant SOS1 express... | 35833726 |
| Son of sevenless homolog 1 | Ki | = | 52.0 | nM | 7.28 | Binding affinity to SOS1 (unknown origin) assessed as inhibition constant by HTR... | 38430853 |
| Unchecked | IC50 | = | 958.0 | nM | 6.02 | Inhibition of ERK phosphorylation in human MKN-1 cells incubated for 0.5 to 1 hr... | 35833726 |
| MKN-1 | IC50 | = | 958.0 | nM | 6.02 | Antiproliferative activity against human MKN-1 cells assessed as reduction in ce... | 38430853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35833726 | 10.1021/acs.jmedchem.2c00741 | Son of sevenless homolog 1 | 1 |
| 35833726 | 10.1021/acs.jmedchem.2c00741 | Unchecked | 1 |
| 35833726 | 10.1021/acs.jmedchem.2c00741 | Epidermal growth factor receptor | 1 |
| 38430853 | 10.1016/j.ejmech.2024.116282 | Son of sevenless homolog 1 | 1 |
| 38430853 | 10.1016/j.ejmech.2024.116282 | MKN-1 | 1 |
Data from ChEMBL 36 via Core Engine