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Compound Detail

CHEMBL5850339

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CC(C)NC(=O)C1C(C(=O)Nc2ccc(Br)cc2)C2CCC1C21CC1

Basic Information

ChEMBL ID CHEMBL5850339
Phase Preclinical
Structure Type MOL
InChI Key SSWIBOARWQNYFQ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.3
MW (Da)
3.96
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25BrN2O2
MW 405.34
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.45

Activity Summary

EC50 3 meas. best 8.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 8.17 8.17 6.7 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine