Compound Detail
CHEMBL174418
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NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@H](Cc2ccc(OCC(=O)O)cc2)NC(=O)C(=O)O)CCCCC1)C(=O)NCCCc1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL174418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZMYXAMTIOVAPK-VMPREFPWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
717.8
MW (Da)
1.34
ALogP
8
HBA
7
HBD
243.3
PSA (Ų)
0.08
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 CHEMBL3663 | IC50 | 4.82 | 4.77 | 15000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of Growth factor receptor bound protein 2 SH2 domain binding in plasm... | 10853661 |
| Growth factor receptor-bound protein 2 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay meth... | 10715157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715157 | 10.1021/jm9904248 | Growth factor receptor-bound protein 2 | 1 |
| 10853661 | 10.1016/s0960-894x(00)00124-4 | Growth factor receptor-bound protein 2 | 1 |
Data from ChEMBL 36 via Core Engine