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Compound Detail

CHEMBL95327

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CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1NC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL95327
Phase Preclinical
Structure Type MOL
InChI Key BWGIJUFDYRJXNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
5.75
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27N3O2S
MW 457.60
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
14611849 10.1016/s0960-894x(03)00554-7 Neuropeptide Y receptor type 2 1
24365162 10.1016/j.bmcl.2013.11.061 Neuropeptide Y receptor type 2 1

Data from ChEMBL 36 via Core Engine