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Compound Detail

CHEMBL5946041

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CC(C)C1(CC(=O)NCCO)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5946041
Phase Preclinical
Structure Type MOL
InChI Key WDEOQUSGGWZNGR-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.3
MW (Da)
0.93
ALogP
5
HBA
5
HBD
139.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22BrN5O5
MW 456.30
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.03

Activity Summary

EC50 3 meas. best 8.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 8.57 8.57 2.7 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 2.7 nM 8.57 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -
N-formyl peptide receptor 2 EC50 = 2.7 nM 8.57 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -

Data from ChEMBL 36 via Core Engine