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Compound Detail

CHEMBL506812

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Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccsc3)=N2)cc1

Basic Information

ChEMBL ID CHEMBL506812
Phase Preclinical
Structure Type MOL
InChI Key HQNKQGJTPYZHJC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
4.32
ALogP
3
HBA
1
HBD
24.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14F2N2S
MW 340.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL4561
IC50 7.03 7.03 93.0 1

Activity Data Samples

Top measurements by pChEMBL value

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