Sch 38516
AlkaPlorer ID: AK044318
Synonym: None
IUPAC Name: (3R,7S,10R,11R)-10-[(2R,3R,4R,5S,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,11-diethyl-7-methyl-azacyclotetradecan-2-one
Structure
SMILES: CC[C@@H]1CCC[C@H](C)CC[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](N)[C@H]2O)[C@H](CC)CCCN=C1O
InChI: InChI=1S/C24H46N2O5/c1-5-17-11-8-14-26-23(29)18(6-2)10-7-9-15(3)12-13-19(17)31-24-22(28)20(25)21(27)16(4)30-24/h15-22,24,27-28H,5-14,25H2,1-4H3,(H,26,29)/t15-,16-,17+,18+,19+,20+,21+,22+,24-/m0/s1
InChIKey: MJDWUOZLTDXLJL-PEFIXUBVSA-N
Reference
PubChem CID: 131016
CAS: 128563-23-5
LOTUS: LTS0104812
SuperNatural Ⅲ: SN0227122-04
{NPAtlas: NPA014140
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura sp. | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 442.64100000000025
TPSA？: 117.53
MolLogP？: 3.554800000000002
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Huh-7 | CC50 | 6250.0 | nM | 10.1073/pnas.0802982105 |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 1250.0 | nM | 10.1073/pnas.0802982105 |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 1585.0 | nM | 10.1073/pnas.0802982105 |
| None | Unchecked | IFI | 1.515 | % | 10.1073/pnas.0802982105 |