Lodopyridone A
AlkaPlorer ID: AK075676
Synonym: None
IUPAC Name: 6-[2-(6-chloroquinolin-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)-5-methoxy-1-methyl-3-methylsulfanyl-4-oxopyridine-2-carboxamide
Structure
SMILES: COC1=C(C2=CSC(C3=CC=C4C=C(Cl)C=CC4=N3)=N2)N(C)C(C(O)=NCCO)=C(SC)C1=O
InChI: InChI=1S/C23H21ClN4O4S2/c1-28-17(20(32-2)19(30)21(33-3)18(28)22(31)25-8-9-29)16-11-34-23(27-16)15-6-4-12-10-13(24)5-7-14(12)26-15/h4-7,10-11,29H,8-9H2,1-3H3,(H,25,31)
InChIKey: KYNDIHHLHISOAP-UHFFFAOYSA-N
Reference
Lodopyridone, a Structurally Unprecedented Alkaloid from a Marine Actinomycete
PubChem CID: 66575254
LOTUS: LTS0201103
SuperNatural Ⅲ: SN0198853
NPASS: NPC296077
COCONUT: CNP0149867
{NPAtlas: NPA011247
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharomonospora sp. | Saccharomonospora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 517.0320000000003
TPSA？: 109.83
MolLogP？: 4.404800000000004
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Beta-secretase 1 | Inhibition | 42.0 | % | 10.1016/j.bmcl.2017.05.035 |
| Homo sapiens | Beta-secretase 1 | Inhibition | nan | % | 10.1016/j.bmcl.2017.05.035 |