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Compound Detail

CHEMBL420630

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CN(C)CCCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420630
Phase Preclinical
Structure Type MOL
InChI Key YPKZZQXDAZSUPY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.7
MW (Da)
7.18
ALogP
4
HBA
0
HBD
23.6
PSA (Ų)
0.18
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N2OS2
MW 474.70
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.56

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