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Compound Detail

CHEMBL5765955

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CC1(CCc2cccs2)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O

Basic Information

ChEMBL ID CHEMBL5765955
Phase Preclinical
Structure Type MOL
InChI Key OXKOCISLSWJJJB-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.3
MW (Da)
3.49
ALogP
4
HBA
3
HBD
90.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17BrN4O3S
MW 437.32
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.97

Activity Summary

EC50 3 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 8.1 8.1 7.9 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine