Compound Detail
CHEMBL279961
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Cc1ccc2c(ccn2CCCNC(=O)[C@H](CC(N)=O)NC(=O)C2(NC(=O)[C@H](Cc3ccc(C(C(=O)O)C(=O)O)cc3)NC(=O)C(=O)O)CCCCC2)c1
Basic Information
| ChEMBL ID | CHEMBL279961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWMUTXRIOZYZEZ-UIOOFZCWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
748.8
MW (Da)
0.70
ALogP
9
HBA
8
HBD
276.3
PSA (Ų)
0.05
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 CHEMBL3663 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth factor receptor-bound protein 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibitory concentration required against Src homology (SH2) domain of Growth fa... | 11354377 |
| Growth factor receptor-bound protein 2 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of Growth factor receptor bound protein 2 binding by ELISA assay meth... | 10715157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354377 | 10.1016/s0960-894x(01)00173-1 | Growth factor receptor-bound protein 2 | 1 |
| 10715157 | 10.1021/jm9904248 | Growth factor receptor-bound protein 2 | 1 |
Data from ChEMBL 36 via Core Engine