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

CHEMBL379761

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
CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL379761
Phase Preclinical
Structure Type MOL
InChI Key PAEBEUZTAPIOIO-UHFFFAOYSA-N
6
Targets
16
Activities
2
Assay Types
3
PK Parameters
20
Publications
0
Known Names

Molecular Properties

384.9
MW (Da)
4.60
ALogP
4
HBA
2
HBD
68.1
PSA (Ų)
0.69
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 C20H21ClN4O2
MW 384.87
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.58

Activity Summary

EC50 12 meas. best 7.66
IC50 4 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 7.66 7.1533 22.0 6
fMet-Leu-Phe receptor
CHEMBL3359
 EC50 7.49 7.04 32.4 4
Unchecked
CHEMBL612545
 IC50 6.62 6.405 240.0 2
PMNL
CHEMBL613706
 IC50 6.62 6.405 240.0 2
fMet-Leu-Phe receptor
CHEMBL1770037
 EC50 6.46 6.46 350.0 1
Formyl peptide receptor 2
CHEMBL4739842
 EC50 6.05 6.05 890.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 2.1 mL.min-1.kg-1 Rattus norvegicus
F 91.0 % Rattus norvegicus
T1/2 2.78 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 22.0 nM 7.66 Agonist activity at human FPR2 38199163
fMet-Leu-Phe receptor EC50 = 32.36 nM 7.49 Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as i... 31038950
N-formyl peptide receptor 2 EC50 = 40.74 nM 7.39 Biased agonist activity at human FPR2 expressed in FlpIn-CHO cells assessed as s... 31038950
N-formyl peptide receptor 2 EC50 = 44.0 nM 7.36 Activity at human FPRL1-mediated calcium mobilization in CHO cells 16697190
N-formyl peptide receptor 2 EC50 = 44.0 nM 7.36 Agonist activity at human recombinant FPRL1 expressed in CHO cells assessed as c... 17920884
fMet-Leu-Phe receptor EC50 = 51.29 nM 7.29 Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as s... 31038950
fMet-Leu-Phe receptor EC50 = 65.0 nM 7.19 Agonist activity at human FPR1 38199163
N-formyl peptide receptor 2 EC50 = 95.5 nM 7.02 Biased agonist activity at human FPR2 expressed in FlpIn-CHO cells assessed as i... 31038950
PMNL IC50 = 240.0 nM 6.62 Inhibition of IL8-induced PMN migration 16697190
Unchecked IC50 = 240.0 nM 6.62 Inhibition of IL8-induced human PMN migration after 45 mins 17920884
fMet-Leu-Phe receptor EC50 = 350.0 nM 6.46 Agonist activity at mouse FPR1 38199163
fMet-Leu-Phe receptor EC50 = 649.45 nM 6.19 GPCR PRESTO-Tango dose-response in agonist mode with target: FPR1 -
PMNL IC50 = 640.0 nM 6.19 Inhibition of fMLP-induced PMN migration 16697190
Unchecked IC50 = 640.0 nM 6.19 Inhibition of fMLP-induced human PMN migration after 45 mins 17920884
N-formyl peptide receptor 2 EC50 = 740.01 nM 6.13 GPCR PRESTO-Tango dose-response in agonist mode with target: FPR2 -
Formyl peptide receptor 2 EC50 = 890.0 nM 6.05 Agonist activity at mouse FPR2 38199163

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303300 U2OS 304
- 10.6019/CHEMBL5303300 HEK-293T 304
- 10.6019/CHEMBL5303300 Fibroblast 304
- 10.6019/CHEMBL5058564 Fibroblast 9
- 10.6019/CHEMBL5209801 Sphingosine 1-phosphate receptor 1 8
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 8
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 8
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 8
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 8
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 8
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 8
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 8
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 8
- 10.6019/CHEMBL5209801 Apelin receptor 8
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 8
- 10.6019/CHEMBL5209801 CX3C chemokine receptor 1 8
16697190 10.1016/j.bmcl.2006.04.068 Mus musculus 7
- 10.6019/CHEMBL5058564 HEK-293T 7
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
16697190 10.1016/j.bmcl.2006.04.068 Rattus norvegicus 3

Data from ChEMBL 36 via Core Engine