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Compound Detail

CHEMBL495369

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CS(=O)(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL495369
Phase Preclinical
Structure Type MOL
InChI Key GPVRTSCLEVUEQI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
3.66
ALogP
4
HBA
1
HBD
58.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18F2N2O2S
MW 412.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.74

Activity Summary

IC50 1 meas. best 8.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL4561
 IC50 8.04 8.04 9.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 5 IC50 = 9.2 nM 8.04 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