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Compound Detail

CHEMBL250143

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COc1ccc2[nH]c(C(=O)N3CCC(n4cnc5ccccc54)CC3)cc2c1

Basic Information

ChEMBL ID CHEMBL250143
Phase Preclinical
Structure Type MOL
InChI Key ZTWRYQYSGZSPLJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
4.00
ALogP
4
HBA
1
HBD
63.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O2
MW 374.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.25

Activity Summary

EC50 1 meas. best 5.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 5.29 5.29 5100.0 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

Data from ChEMBL 36 via Core Engine