N~1~-phenethyl-2-(9H-purin-6-ylsulfanyl)acetamide
AlkaPlorer ID: AK489366
Synonym: None
IUPAC Name: N-(2-phenylethyl)-2-(7H-purin-6-ylsulfanyl)acetamide
Structure
SMILES: O=C(CSC1=NC=NC2=C1NC=N2)NCCC1=CC=CC=C1
InChI: InChI=1S/C15H15N5OS/c21-12(16-7-6-11-4-2-1-3-5-11)8-22-15-13-14(18-9-17-13)19-10-20-15/h1-5,9-10H,6-8H2,(H,16,21)(H,17,18,19,20)
InChIKey: PJFSAKZOVMIDFE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 313.386
TPSA？: 83.56
MolLogP？: 1.8039
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Catenin beta-1 | IC50 | 1750.0 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 50118.7 | nM | None |
| None | Unchecked | Potency | 730.8 | nM | None |