Compound Detail
CHEMBL1205233
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NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)[C@@H](CC(=O)O)[C@@H](c2ccc(C(C(=O)O)C(=O)O)cc2)/C=C/C[C@@H](Cc2cccc3ccccc23)CNC1=O
Basic Information
| ChEMBL ID | CHEMBL1205233 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYIJOFSDJMOTGX-SPRVXXEPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
754.8
MW (Da)
3.38
ALogP
7
HBA
7
HBD
242.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 CHEMBL3663 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 | IC50 | = | 4.3 | nM | 8.37 | Binding affinity to Grb2-SH2 domain (unknown origin) by ELISA | 34506932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34506932 | 10.1016/j.bmcl.2021.128354 | Growth factor receptor-bound protein 2 | 1 |
Data from ChEMBL 36 via Core Engine