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Compound Detail

CHEMBL4440250

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COc1ccccc1Cc1cc(C)nn(C(C(=O)Nc2ccc(Cl)cc2)C(C)C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4440250
Phase Preclinical
Structure Type MOL
InChI Key RWQSYCHQVVDEFV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
4.64
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26ClN3O3
MW 439.94
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.22

Activity Summary

EC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
fMet-Leu-Phe receptor
CHEMBL3359
 EC50 5.55 5.55 2818.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
fMet-Leu-Phe receptor EC50 = 2818.38 nM 5.55 Biased agonist activity at human FPR1 expressed in FlpIn-CHO cells assessed as s... 31038950

Literature References

PubMed DOI Target Context # Activities
31038950 10.1021/acs.jmedchem.8b01912 fMet-Leu-Phe receptor 2
31038950 10.1021/acs.jmedchem.8b01912 N-formyl peptide receptor 2 2

Data from ChEMBL 36 via Core Engine