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Compound Detail

CHEMBL4556579

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CCCCC(C(=O)Nc1ccc(Cl)cc1)n1nc(C(F)(F)F)cc(Cc2ccccc2OC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4556579
Phase Preclinical
Structure Type MOL
InChI Key YPUPIKYQGHCSIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

507.9
MW (Da)
5.88
ALogP
5
HBA
1
HBD
73.2
PSA (Ų)
0.39
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25ClF3N3O3
MW 507.94
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.06

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