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Compound Detail

CHEMBL5864906

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CSc1ccc(NC(=O)C2C(C(=O)O)C3CCC2C32CC2)cc1

Basic Information

ChEMBL ID CHEMBL5864906
Phase Preclinical
Structure Type MOL
InChI Key NBPHXLQGXHSIGD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
3.48
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO3S
MW 331.44
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.39

Activity Summary

EC50 2 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 8.15 8.15 7.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine