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Compound Detail

CHEMBL6038726

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

Basic Information

ChEMBL ID CHEMBL6038726
Phase Preclinical
Structure Type MOL
InChI Key SCPFXCPEZGXXTJ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

413.2
MW (Da)
3.61
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20INO3
MW 413.25
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.39

Activity Summary

EC50 3 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 8.77 8.77 1.7 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 1.7 nM 8.77 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -
N-formyl peptide receptor 2 EC50 = 1.7 nM 8.77 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -

Data from ChEMBL 36 via Core Engine