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Compound Detail

CHEMBL1836323

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CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2

Basic Information

ChEMBL ID CHEMBL1836323
Phase Preclinical
Structure Type MOL
InChI Key UGPGVMFORUSXDJ-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.6
MW (Da)
3.59
ALogP
6
HBA
2
HBD
71.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23N3O2S3
MW 397.59
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 8.3
Ki 1 meas. best 8.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL4561
IC50 8.3 8.3 5.0 1
Neuropeptide Y receptor type 5
CHEMBL4561
Ki 8.06 8.06 8.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21782428 10.1016/j.bmcl.2011.06.124 Neuropeptide Y receptor type 5 2

Data from ChEMBL 36 via Core Engine