Compound Detail
CHEMBL4099691
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Basic Information
| ChEMBL ID | CHEMBL4099691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HESOLIOUEWJLGM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.5
MW (Da)
4.15
ALogP
4
HBA
1
HBD
28.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.91 | 4.91 | 12320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12320.0 | nM | 4.91 | Allosteric inhibition of SHP2 E76A mutant (unknown origin) expressed in Escheric... | 29155585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29155585 | 10.1021/acs.jmedchem.7b01520 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine