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Compound Detail

CHEMBL5839088

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CCOP(C)(=O)c1ccccc1-c1ccc(N2CC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3F)C2=O)c(F)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5839088
Phase Preclinical
Structure Type MOL
InChI Key WZGCBJZHEPJCEZ-WYTVWHHTSA-N
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

599.5
MW (Da)
6.29
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24F6N3O4P
MW 599.47
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -1.21

Activity Summary

EC50 8 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 8.28 8.22 5.2 4
fMet-Leu-Phe receptor
CHEMBL3359
 EC50 7.31 7.23 49.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 5.2 nM 8.28 FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... -
N-formyl peptide receptor 2 EC50 = 5.2 nM 8.28 Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... -
N-formyl peptide receptor 2 EC50 = 6.9 nM 8.16 FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... -
N-formyl peptide receptor 2 EC50 = 6.9 nM 8.16 Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... -
fMet-Leu-Phe receptor EC50 = 49.0 nM 7.31 FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... -
fMet-Leu-Phe receptor EC50 = 49.0 nM 7.31 Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... -
fMet-Leu-Phe receptor EC50 = 71.0 nM 7.15 FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... -
fMet-Leu-Phe receptor EC50 = 71.0 nM 7.15 Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... -

Data from ChEMBL 36 via Core Engine