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Compound Detail

CHEMBL377642

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COc1ccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377642
Phase Preclinical
Structure Type MOL
InChI Key YWFZFITXRIAXKW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.14
ALogP
5
HBA
2
HBD
77.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O3
MW 352.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.66

Activity Summary

EC50 1 meas. best 5.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 5.56 5.56 2730.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 2730.0 nM 5.56 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

Data from ChEMBL 36 via Core Engine