Compound Detail
CHEMBL4576057
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Basic Information
| ChEMBL ID | CHEMBL4576057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMRBHKBLTVJVQT-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.0
MW (Da)
3.44
ALogP
7
HBA
1
HBD
98.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Kd 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GRB2-associated-binding protein 1 CHEMBL4523286 | Kd | 5.68 | 5.68 | 2100.0 | 1 |
| Insulin receptor substrate 1 CHEMBL4523219 | Kd | 4.79 | 4.79 | 16400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GRB2-associated-binding protein 1 | Kd | = | 2100.0 | nM | 5.68 | Binding affinity to recombinant human GAB1 PH domain expressed in Escherichia co... | - |
| Insulin receptor substrate 1 | Kd | = | 16400.0 | nM | 4.79 | Binding affinity to recombinant human IRS1 PH domain expressed in Escherichia co... | - |
Data from ChEMBL 36 via Core Engine