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Compound Detail

CHEMBL4532583

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CCCCC(C(=O)Nc1ccc(Br)cc1)n1nc(C)cc(Cc2cccc(OC)c2OC)c1=O

Basic Information

ChEMBL ID CHEMBL4532583
Phase Preclinical
Structure Type MOL
InChI Key ANFAKSLECUHRIW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

528.5
MW (Da)
5.29
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.39
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30BrN3O4
MW 528.45
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.87

Activity Summary

EC50 2 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
fMet-Leu-Phe receptor
CHEMBL3359
EC50 8.19 7.4 6.5 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31038950 10.1021/acs.jmedchem.8b01912 fMet-Leu-Phe receptor 2
31038950 10.1021/acs.jmedchem.8b01912 N-formyl peptide receptor 2 2

Data from ChEMBL 36 via Core Engine