Lodopyridone A; 20-Ac
AlkaPlorer ID: AK108308
Synonym: Lodopyridone B
IUPAC Name: 2-[[6-[2-(6-chloroquinolin-2-yl)-1,3-thiazol-4-yl]-5-methoxy-1-methyl-3-methylsulfanyl-4-oxopyridine-2-carbonyl]amino]ethyl acetate
Structure
SMILES: COC1=C(C2=CSC(C3=CC=C4C=C(Cl)C=CC4=N3)=N2)N(C)C(C(O)=NCCOC(C)=O)=C(SC)C1=O
InChI: InChI=1S/C25H23ClN4O5S2/c1-13(31)35-10-9-27-24(33)20-23(36-4)21(32)22(34-3)19(30(20)2)18-12-37-25(29-18)17-7-5-14-11-15(26)6-8-16(14)28-17/h5-8,11-12H,9-10H2,1-4H3,(H,27,33)
InChIKey: DMBVXTUIDKZYER-UHFFFAOYSA-N
Reference
Lodopyridones B and C from a marine sediment-derived bacterium Saccharomonospora sp.
PubChem CID: 137633769
LOTUS: LTS0076814
NPASS: NPC479775
COCONUT: CNP0443009
{NPAtlas: NPA029042
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saccharomonospora sp. | Saccharomonospora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 559.0690000000003
TPSA？: 115.9
MolLogP？: 4.9756000000000045
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Beta-secretase 1 | Inhibition | 41.0 | % | 10.1016/j.bmcl.2017.05.035 |
| Homo sapiens | Beta-secretase 1 | Inhibition | 49.0 | % | 10.1016/j.bmcl.2017.05.035 |
| Homo sapiens | Beta-secretase 1 | Inhibition | 60.0 | % | 10.1016/j.bmcl.2017.05.035 |
| Homo sapiens | Beta-secretase 1 | Inhibition | nan | % | 10.1016/j.bmcl.2017.05.035 |