Compound Detail
CHEMBL4245081
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Basic Information
| ChEMBL ID | CHEMBL4245081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSMKBOZJAWCJNL-LLVKDONJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.8
MW (Da)
5.38
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Son of sevenless homolog 1 CHEMBL2079846 | EC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Son of sevenless homolog 1 | EC50 | = | 6400.0 | nM | 5.19 | Activation of SOS1 in human HeLa cells assessed as increase in RAS-GTP levels af... | 30258545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30258545 | 10.1021/acsmedchemlett.8b00296 | Son of sevenless homolog 1 | 14 |
| 30258545 | 10.1021/acsmedchemlett.8b00296 | Mitogen-activated protein kinase 3 | 1 |
| 30258545 | 10.1021/acsmedchemlett.8b00296 | Mitogen-activated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine