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Compound Detail

CHEMBL521723

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O=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL521723
Phase Preclinical
Structure Type MOL
InChI Key VUPDMJLETWSFDS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
4.50
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O3S
MW 405.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL4561
IC50 8.1 8.1 7.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19464889 10.1016/j.bmcl.2009.05.013 No relevant target 2
19464889 10.1016/j.bmcl.2009.05.013 Neuropeptide Y receptor type 5 1

Data from ChEMBL 36 via Core Engine