Compound Detail
CHEMBL1689463
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CSCC[C@H](NC(=O)[C@H](CCCCNC(=O)COCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL1689463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCWAVXDKOXTVMR-DEHOOOJBSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
2218.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Kd 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Placenta growth factor CHEMBL1697670 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Placenta growth factor CHEMBL1697671 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Placenta growth factor CHEMBL1697671 | Kd | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Placenta growth factor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human PlGF-1-VEGFR-1 interaction by ELISA | 21280651 |
| Placenta growth factor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of mouse PlGF-VEGFR-1 interaction by ELISA | 21280651 |
| Placenta growth factor | Kd | = | 5.0 | nM | 8.3 | Binding affinity to human PlGF-1 | 21280651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21280651 | 10.1021/jm101226k | Placenta growth factor | 5 |
| 21280651 | 10.1021/jm101226k | Serum | 2 |
Data from ChEMBL 36 via Core Engine