Compound Detail
CHEMBL70852
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COc1ccc2c(CCCNC(=O)[C@H](CC(N)=O)NC(=O)C3(NC(=O)[C@H](Cc4ccc(CP(=O)(O)O)cc4)NC(C)=O)CCCCC3)c[nH]c2c1
Basic Information
| ChEMBL ID | CHEMBL70852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCIUVOQQMYXQDZ-KYJUHHDHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
726.8
MW (Da)
1.83
ALogP
7
HBA
8
HBD
242.0
PSA (Ų)
0.07
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 CHEMBL3663 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Grb-SH2 domain binding to phosphorylated carboxy-terminal intracel... | 10021933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10021933 | 10.1016/s0960-894x(98)00701-x | Growth factor receptor-bound protein 2 | 1 |
Data from ChEMBL 36 via Core Engine