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Compound Detail

CHEMBL5276622

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CC(C)C[C@H](NC(=O)CNC(=O)Nc1ccc(Br)cc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL5276622
Phase Preclinical
Structure Type MOL
InChI Key ICBFITLMTVXRNS-LBPRGKRZSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

386.2
MW (Da)
2.19
ALogP
3
HBA
4
HBD
107.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20BrN3O4
MW 386.25
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.16

Activity Summary

EC50 4 meas. best 9.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
fMet-Leu-Phe receptor
CHEMBL3359
EC50 9.24 9.24 0.6 2
N-formyl peptide receptor 2
CHEMBL4227
EC50 6.66 6.655 220.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33486199 10.1016/j.ejmech.2021.113167 fMet-Leu-Phe receptor 2
33486199 10.1016/j.ejmech.2021.113167 N-formyl peptide receptor 2 2
33486199 10.1016/j.ejmech.2021.113167 Unchecked 1
38199163 10.1016/j.ejmech.2023.115989 fMet-Leu-Phe receptor 1
38199163 10.1016/j.ejmech.2023.115989 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine