Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4434857

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCC[C@H](O)c1nc(-c2ccccc2)oc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)OC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4434857
Phase Preclinical
Structure Type MOL
InChI Key BZWOOSQQQLYBJF-FTJWLTEJSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
4.81
ALogP
7
HBA
3
HBD
113.0
PSA (Ų)
0.27
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H37NO6
MW 459.58
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.62

Activity Summary

IC50 6 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 IC50 8.6 8.035 2.5 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 IC50 = 2.5 nM 8.6 Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as... 30419493
N-formyl peptide receptor 2 IC50 = 3.2 nM 8.49 Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as... 30419493
N-formyl peptide receptor 2 IC50 = 5.1 nM 8.29 Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as... 30419493
N-formyl peptide receptor 2 IC50 = 6.7 nM 8.17 Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as... 30419493
N-formyl peptide receptor 2 IC50 = 31.4 nM 7.5 Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as... 30419493
N-formyl peptide receptor 2 IC50 = 69.6 nM 7.16 Agonist activity at ALX/FPR2 in human THP1 cells harboring NF-kB-Luc assessed as... 30419493

Literature References

PubMed DOI Target Context # Activities
30419493 10.1016/j.ejmech.2018.10.049 N-formyl peptide receptor 2 29
30419493 10.1016/j.ejmech.2018.10.049 Unchecked 7
30419493 10.1016/j.ejmech.2018.10.049 THP-1 7
30419493 10.1016/j.ejmech.2018.10.049 HEK293 1

Data from ChEMBL 36 via Core Engine