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Compound Detail

CHEMBL377969

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Cc1c(NC(=O)Nc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C

Basic Information

ChEMBL ID CHEMBL377969
Phase Preclinical
Structure Type MOL
InChI Key AFNFUDZGKRZEER-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.3
MW (Da)
3.89
ALogP
4
HBA
2
HBD
68.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17BrN4O2
MW 401.26
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.83

Activity Summary

EC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 90.0 nM 7.05 Activity at human FPRL1-mediated calcium mobilization in CHO cells 16697190

Literature References

PubMed DOI Target Context # Activities
16697190 10.1016/j.bmcl.2006.04.068 N-formyl peptide receptor 2 1
20870313 10.1016/j.ejmech.2010.09.001 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine