Compound Detail
CHEMBL4459024
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NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(CN4CCCC4)nn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NCc2ccccc2)nn1
Basic Information
| ChEMBL ID | CHEMBL4459024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJGMJJPMEWXEFZ-KXLPFTAXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1310.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteinase-activated receptor 1 CHEMBL3974 | IC50 | 8.0 | 7.505 | 10.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteinase-activated receptor 1 | IC50 | = | 10.0 | nM | 8.0 | Antagonist activity at PAR1 in human MDA-MB-231 cells assessed as inhibition of ... | 30655958 |
| Unchecked | IC50 | = | 74.0 | nM | 7.13 | Antagonist activity at PAR1/PAR2 in human EAhy926 cells assessed as inhibition o... | 30655958 |
| Proteinase-activated receptor 1 | IC50 | = | 97.0 | nM | 7.01 | Antagonist activity at PAR1 in human EAhy926 cells assessed as inhibition of TFL... | 30655958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30655958 | 10.1021/acsmedchemlett.8b00538 | Proteinase-activated receptor 1 | 3 |
| 30655958 | 10.1021/acsmedchemlett.8b00538 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine