Compound Detail
CHEMBL5950038
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COc1c(-c2ccccc2NS(C)(=O)=O)ccc(N2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c1F
Basic Information
| ChEMBL ID | CHEMBL5950038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEMWCPYVWVVVEH-HXUWFJFHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
565.0
MW (Da)
4.59
ALogP
5
HBA
3
HBD
116.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 8.39 | 8.39 | 4.1 | 2 |
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 7.58 | 7.58 | 26.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 4.1 | nM | 8.39 | FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... | - |
| N-formyl peptide receptor 2 | EC50 | = | 4.1 | nM | 8.39 | Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... | - |
| fMet-Leu-Phe receptor | EC50 | = | 26.0 | nM | 7.58 | FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... | - |
| fMet-Leu-Phe receptor | EC50 | = | 26.0 | nM | 7.58 | Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... | - |
Data from ChEMBL 36 via Core Engine