Compound Detail
CHEMBL443564
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CC(=O)N[C@@H](Cc1ccc(C(F)(C(=O)O)C(=O)O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(=O)NCCCc2cccc3ccccc23)CCCCC1
Basic Information
| ChEMBL ID | CHEMBL443564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBPYZTGBOYPNII-KYJUHHDHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
733.8
MW (Da)
2.15
ALogP
7
HBA
7
HBD
234.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 CHEMBL3663 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 | IC50 | = | 680.0 | nM | 6.17 | 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 |
Data from ChEMBL 36 via Core Engine