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

CHEMBL377226

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
Cn1c(C(C)(C)C)c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377226
Phase Preclinical
Structure Type MOL
InChI Key ZLYDOKIRSQSMRT-UHFFFAOYSA-N
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
4.77
ALogP
4
HBA
2
HBD
68.1
PSA (Ų)
0.67
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 C21H23ClN4O2
MW 398.89
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.55

Activity Summary

EC50 7 meas. best 8.0
IC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 8.0 7.05 10.0 3
fMet-Leu-Phe receptor
CHEMBL1770037
 EC50 7.7 7.7 20.0 1
fMet-Leu-Phe receptor
CHEMBL3359
 EC50 7.3 7.3 50.0 1
Formyl peptide receptor 2
CHEMBL4739842
 EC50 7.3 7.3 50.0 1
HL-60
CHEMBL383
 EC50 7.11 7.11 78.0 1
HL-60
CHEMBL383
 IC50 6.72 6.72 189.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 10.0 nM 8.0 Agonist activity at human FPR2 expressed in CHO-A12 cells assessed as cAMP level... 33486199
fMet-Leu-Phe receptor EC50 = 20.0 nM 7.7 Agonist activity at mouse FPR1 expressed in CHO-A12 cells assessed as cAMP level... 33486199
N-formyl peptide receptor 2 EC50 = 23.0 nM 7.64 Activity at human FPRL1-mediated calcium mobilization in CHO cells 16697190
fMet-Leu-Phe receptor EC50 = 50.0 nM 7.3 Agonist activity at human FPR1 expressed in CHO-A12 cells assessed as cAMP level... 33486199
Formyl peptide receptor 2 EC50 = 50.0 nM 7.3 Agonist activity at mouse FPR2 expressed in CHO-A12 cells assessed as cAMP level... 33486199
HL-60 EC50 = 78.0 nM 7.11 Induction of cell migration in human HL-60 cells incubated for 120 mins by trans... 33486199
HL-60 IC50 = 189.0 nM 6.72 Inhibition of cell migration in human HL-60 cells incubated for 120 mins in pres... 33486199
N-formyl peptide receptor 2 EC50 = 3100.0 nM 5.51 Agonist activity at human FPR2 expressed in CHO-K1 cells by beta-arrestin recrui... 33486199

Literature References

PubMed DOI Target Context # Activities
33486199 10.1016/j.ejmech.2021.113167 Rattus norvegicus 4
33486199 10.1016/j.ejmech.2021.113167 Mus musculus 3
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 HL-60 2
16697190 10.1016/j.bmcl.2006.04.068 N-formyl peptide receptor 2 1
33548634 10.1016/j.ejmech.2021.113194 Neutrophil 1
33486199 10.1016/j.ejmech.2021.113167 Formyl peptide receptor 2 1
33486199 10.1016/j.ejmech.2021.113167 Formyl peptide receptor-related sequence 1 1

Data from ChEMBL 36 via Core Engine