Compound Detail
CHEMBL1714813
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1714813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJFMUYZWDLSYSX-GFCCVEGCSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.82
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Kd 2 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Son of sevenless homolog 1 CHEMBL2079846 | Kd | 8.01 | 7.265 | 9.7 | 2 |
| SOS1-KRAS CHEMBL5465393 | IC50 | 5.98 | 5.9 | 1050.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of EGFR (unknown origin) | 33719426 |
| Son of sevenless homolog 1 | Kd | = | 9.7 | nM | 8.01 | Binding affinity to SOS1 (unknown origin) assessed as dissociation constant by S... | 38430853 |
| Son of sevenless homolog 1 | Kd | = | 301.0 | nM | 6.52 | Binding affinity to SOS1 (unknown origin) assessed as dissociation constant by S... | 33719426 |
| SOS1-KRAS | IC50 | = | 1050.0 | nM | 5.98 | Inhibition of SOS1/KRAS G12D mutant (unknown origin) protein-protein interaction... | 33719426 |
| SOS1-KRAS | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of SOS1/KRAS (unknown origin) protein-protein interaction by alpha sc... | 38430853 |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of SOS1/KRAS (unknown origin) protein-protein interaction | 34520956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33719426 | 10.1021/acs.jmedchem.0c01949 | SOS1-KRAS | 1 |
| 33719426 | 10.1021/acs.jmedchem.0c01949 | Son of sevenless homolog 1 | 1 |
| 33719426 | 10.1021/acs.jmedchem.0c01949 | Epidermal growth factor receptor | 1 |
| 34520956 | 10.1016/j.ejmech.2021.113816 | Unchecked | 1 |
| 38430853 | 10.1016/j.ejmech.2024.116282 | SOS1-KRAS | 1 |
| 38430853 | 10.1016/j.ejmech.2024.116282 | Son of sevenless homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine