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Compound Detail

CHEMBL249742

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CCc1ccc2[nH]c(C(=O)N3CC[C@@H](n4c(CC)nc5ccccc54)C3)cc2c1

Basic Information

ChEMBL ID CHEMBL249742
Phase Preclinical
Structure Type MOL
InChI Key SADOBIBJBVJXKY-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
4.73
ALogP
3
HBA
1
HBD
53.9
PSA (Ų)
0.55
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 C24H26N4O
MW 386.50
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.58

Activity Summary

EC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17920884 10.1016/j.bmcl.2007.09.043 N-formyl peptide receptor 2 1
17920884 10.1016/j.bmcl.2007.09.043 fMet-Leu-Phe receptor 1
20870313 10.1016/j.ejmech.2010.09.001 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine