Compound Detail
CHEMBL3142999
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C[C@@](Cc1ccc(OP(=O)(O)O)cc1)(NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)OCc1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3142999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKYOLFFASNEHIT-WBXFWKJNSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
780.6
MW (Da)
0.01
ALogP
11
HBA
10
HBD
342.2
PSA (Ų)
0.06
QED
3
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Kd 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 CHEMBL3663 | Kd | 8.52 | 8.52 | 3.0 | 1 |
| Growth factor receptor-bound protein 2 CHEMBL3663 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 | Kd | = | 3.0 | nM | 8.52 | The compound was tested on a LS250B Perkin-Elmer fluorimeter for Growth factor r... | 10479306 |
| Growth factor receptor-bound protein 2 | IC50 | = | 11.0 | nM | 7.96 | The compound was evaluated for its potency to inhibit the interaction between Gr... | 10479306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479306 | 10.1021/jm9911074 | Growth factor receptor-bound protein 2 | 2 |
Data from ChEMBL 36 via Core Engine