Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL99586

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99586
Phase Preclinical
Structure Type MOL
InChI Key CPGCFTITHHPMEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
6.29
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N2OS
MW 442.63
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.17

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