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Compound Detail

CHEMBL5802047

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CCC1(CCc2ccccc2C(=O)OC)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O

Basic Information

ChEMBL ID CHEMBL5802047
Phase Preclinical
Structure Type MOL
InChI Key YXELRUXLSGTZEG-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

503.4
MW (Da)
3.61
ALogP
5
HBA
3
HBD
116.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23BrN4O5
MW 503.35
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.98

Activity Summary

EC50 3 meas. best 7.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 7.99 7.99 10.3 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine