2-Methoxy-N-(2-methoxy-benzyl)-4-methylsulfanyl-benzamide
AlkaPlorer ID: AK441227
Synonym: None
IUPAC Name: 2-methoxy-N-[(2-methoxyphenyl)methyl]-4-methylsulfanylbenzamide
Structure
SMILES: COC1=CC=CC=C1CNC(=O)C1=CC=C(SC)C=C1OC
InChI: InChI=1S/C17H19NO3S/c1-20-15-7-5-4-6-12(15)11-18-17(19)14-9-8-13(22-3)10-16(14)21-2/h4-10H,11H2,1-3H3,(H,18,19)
InChIKey: LBHLFASKRILFAS-UHFFFAOYSA-N
Reference
Neomaclafungins A–I: Oligomycin-Class Macrolides from a Marine-Derived Actinomycete
PubChem CID: 821054
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 317.4100000000001
TPSA？: 47.56
MolLogP？: 3.355700000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 22387.2 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 112201.8 | nM | None |
| Homo sapiens | Eyes absent homolog 2 | Potency | 31622.8 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 7943.3 | nM | None |
| Homo sapiens | NACHT, LRR and PYD domains-containing protein 3 | IC50 | 5780.0 | nM | None |
| Homo sapiens | NACHT, LRR and PYD domains-containing protein 3 | IC50 | 24800.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 15848.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 22387.2 | nM | None |
| Influenza A virus | Nonstructural protein 1 | Potency | 2511.9 | nM | None |
| Photinus pyralis | Luciferin 4-monooxygenase | Potency | 30131.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 11689.1 | nM | None |
| None | Unchecked | CC50 | 40000.0 | nM | None |
| None | Unchecked | CC50 | 50000.0 | nM | None |
| None | Unchecked | IC90 | 100000.0 | nM | None |
| None | Unchecked | Potency | 3548.1 | nM | None |
| None | Unchecked | Potency | 6309.6 | nM | None |
| None | Unchecked | Potency | 19952.6 | nM | None |
| None | Unchecked | Potency | 35481.3 | nM | None |