110597-53-0
AlkaPlorer ID: AK020953
Synonym: None
IUPAC Name: (2S,3S)-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine
Structure
SMILES: N[C@@H]1CSCON2CCC3=C(NC4=CC=CC=C34)[C@H]12
InChI: InChI=1S/C14H17N3OS/c15-11-7-19-8-18-17-6-5-10-9-3-1-2-4-12(9)16-13(10)14(11)17/h1-4,11,14,16H,5-8,15H2/t11-,14+/m1/s1
InChIKey: SFAMFXNCPDEYGA-RISCZKNCSA-N
Reference
Eudistomins From the New Zealand Ascidian Ritterella sigillinoides
PubChem CID: 3009848
LOTUS: LTS0061118
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 275.377
TPSA？: 54.28
MolLogP？: 2.0302999999999995
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Canis lupus familiaris | MDCK | MCC | 8.0 | ug.mL-1 | 10.1021/jm00095a019 |
| Chlorocebus sabaeus | Vero | MCC | 4.0 | ug.mL-1 | 10.1021/jm00095a019 |
| Chlorocebus sabaeus | Vero | MIC | 0.2 | ug.mL-1 | 10.1021/jm00095a019 |
| Chlorocebus sabaeus | Vero | MIC | 0.4 | ug.mL-1 | 10.1021/jm00095a019 |
| Homo sapiens | HeLa | MCC | 4.0 | ug.mL-1 | 10.1021/jm00095a019 |
| Homo sapiens | HeLa | MIC | 0.2 | ug.mL-1 | 10.1021/jm00095a019 |
| Homo sapiens | HeLa | MIC | 0.7 | ug.mL-1 | 10.1021/jm00095a019 |
| Homo sapiens | HeLa | MIC | 0.8 | ug.mL-1 | 10.1021/jm00095a019 |
| Homo sapiens | MOLT-4F | ID50 | 0.12 | ug ml-1 | 10.1021/jm00095a019 |
| Homo sapiens | MT4 | ID50 | 0.075 | ug ml-1 | 10.1021/jm00095a019 |
| Influenza A virus | Influenza A virus | MIC | 0.8 | ug.mL-1 | 10.1021/jm00095a019 |
| Influenza B virus | Influenza B virus | MIC | 0.8 | ug.mL-1 | 10.1021/jm00095a019 |
| Mus musculus | L1210 | ID50 | 0.11 | ug ml-1 | 10.1021/jm00095a019 |
| None | ADMET | MCC | 10.0 | ug.mL-1 | 10.1021/jm00095a019 |
| None | ADMET | MIC | 0.07 | ug.mL-1 | 10.1021/jm00095a019 |
| None | ADMET | MIC | 0.1 | ug.mL-1 | 10.1021/jm00095a019 |
| None | ADMET | MIC | 0.2 | ug.mL-1 | 10.1021/jm00095a019 |
| None | ADMET | MIC | 0.7 | ug.mL-1 | 10.1021/jm00095a019 |