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

CHEMBL5960931

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
CC1(C)C2CCC1C(C(=O)Nc1ccc(I)cc1)C2C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5960931
Phase Preclinical
Structure Type MOL
InChI Key POZYTCMOBXAZIW-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.3
MW (Da)
3.01
ALogP
2
HBA
2
HBD
72.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21IN2O2
MW 412.27
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.53

Activity Summary

EC50 3 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 8.59 8.59 2.6 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 2.6 nM 8.59 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -
N-formyl peptide receptor 2 EC50 = 2.6 nM 8.59 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -

Data from ChEMBL 36 via Core Engine