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Compound Detail

CHEMBL6036454

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CC1(CCc2cccc(O)c2)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6036454
Phase Preclinical
Structure Type MOL
InChI Key RIJGYMHBXJHWKJ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.3
MW (Da)
3.13
ALogP
4
HBA
4
HBD
110.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19BrN4O4
MW 447.29
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.95

Activity Summary

EC50 3 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 8.68 8.68 2.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 2.1 nM 8.68 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -
N-formyl peptide receptor 2 EC50 = 2.1 nM 8.68 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -

Data from ChEMBL 36 via Core Engine