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Compound Detail

CHEMBL5748385

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O=C(Nc1ccc(Cl)cc1)N[C@@H]1CCN(c2ccc(-c3cccnc3F)c(F)c2F)C1=O

Basic Information

ChEMBL ID CHEMBL5748385
Phase Preclinical
Structure Type MOL
InChI Key MRQZPIWYLPGTBL-MRXNPFEDSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.8
MW (Da)
4.75
ALogP
3
HBA
2
HBD
74.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16ClF3N4O2
MW 460.84
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.39

Activity Summary

EC50 4 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 7.66 7.66 22.0 2
fMet-Leu-Phe receptor
CHEMBL3359
EC50 7.11 7.11 78.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine