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Compound Detail

CHEMBL317075

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

Basic Information

ChEMBL ID CHEMBL317075
Phase Preclinical
Structure Type MOL
InChI Key GHUTYPGQRRMOHK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
6.17
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N2OS
MW 414.57
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.30

Literature References

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

Data from ChEMBL 36 via Core Engine