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Compound Detail

CHEMBL1290250

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CCC(Nc1ccc(OC)cc1)C(=O)N/N=C(C)/C=C/c1ccccc1

Basic Information

ChEMBL ID CHEMBL1290250
Phase Preclinical
Structure Type MOL
InChI Key GVKGWIIGOCDFKW-QNGBLFLMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
4.09
ALogP
4
HBA
2
HBD
62.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3O2
MW 351.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.79

Activity Summary

EC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 5.58 5.58 2600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 2600.0 nM 5.58 Agonist activity at FPR2 (unknown origin) in HEK293 cells 38199163

Literature References

PubMed DOI Target Context # Activities
20870313 10.1016/j.ejmech.2010.09.001 N-formyl peptide receptor 2 1
38199163 10.1016/j.ejmech.2023.115989 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine