Phevalin
AlkaPlorer ID: AK004461
Synonym: '', 'Phevalin'
IUPAC Name: 6-benzyl-3-propan-2-yl-1H-pyrazin-2-one
Structure
SMILES: CC(C)C1=NC=C(CC2=CC=CC=C2)NC1=O
InChI: InChI=1S/C14H16N2O/c1-10(2)13-14(17)16-12(9-15-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17)
InChIKey: CZUORGWXUVRUMV-UHFFFAOYSA-N
Reference
Phevalin, a New Calpain Inhibitor, from a Streptomyces sp.
PubChem CID: 10376483
CAS: 170713-71-0
LOTUS: LTS0152556
COCONUT: CNP0410636
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces griseus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 228.295
TPSA？: 45.75
MolLogP？: 2.4841
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Calpain 1 | IC50 | 1200.0 | nM | 10.1016/s0960-894x(01)00524-8 |
| Homo sapiens | Calpain 1 | Inhibition | 0.0 | % | 10.1016/j.bmcl.2005.04.031 |
| None | Unchecked | IC50 | 1300.0 | nM | 10.1016/j.bmcl.2005.04.031 |