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Compound Detail

CHEMBL1836327

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CC(C)S(=O)(=O)NCCOCCNc1nc2c(s1)CCCc1ccc(F)cc1-2

Basic Information

ChEMBL ID CHEMBL1836327
Phase Preclinical
Structure Type MOL
InChI Key FEOJWKNLVWAOGQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
3.19
ALogP
6
HBA
2
HBD
80.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H26FN3O3S2
MW 427.57
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.99

Activity Summary

Ki 1 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 5
CHEMBL4561
Ki 8.62 8.62 2.4 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