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Compound Detail

CHEMBL100162

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

Basic Information

ChEMBL ID CHEMBL100162
Phase Preclinical
Structure Type MOL
InChI Key ADUPCOZSFKRFSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
6.45
ALogP
4
HBA
1
HBD
32.3
PSA (Ų)
0.24
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 C26H26N2OS2
MW 446.64
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.53

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