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Compound Detail

CHEMBL522866

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Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(C(F)(F)F)cc3)=N2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522866
Phase Preclinical
Structure Type MOL
InChI Key QOBPPRGISYRJFE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
5.28
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.59
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15F5N2
MW 402.37
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.46

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL4561
 IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 5 IC50 = 160.0 nM 6.8 Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expres... 19233647

Literature References

PubMed DOI Target Context # Activities
19233647 10.1016/j.bmcl.2009.01.101 Neuropeptide Y receptor type 5 1

Data from ChEMBL 36 via Core Engine