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Compound Detail

CHEMBL5770353

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CCC[C@H](NC(=O)Nc1ccc(Br)cc1F)C(=O)NCC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5770353
Phase Preclinical
Structure Type MOL
InChI Key JYWZBPJPSWXWPV-NSHDSACASA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.2
MW (Da)
1.48
ALogP
3
HBA
4
HBD
113.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18BrFN4O3
MW 389.23
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.75

Activity Summary

EC50 3 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 8.28 8.28 5.2 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 5.2 nM 8.28 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -
N-formyl peptide receptor 2 EC50 = 5.2 nM 8.28 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -

Data from ChEMBL 36 via Core Engine