Fiscalin B
AlkaPlorer ID: AK031387
Synonym: None
IUPAC Name: (1S,4R)-4-(1H-indol-3-ylmethyl)-1-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@@H](CC2=CNC3=CC=CC=C23)N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C23H22N4O2/c1-13(2)20-21-25-18-10-6-4-8-16(18)23(29)27(21)19(22(28)26-20)11-14-12-24-17-9-5-3-7-15(14)17/h3-10,12-13,19-20,24H,11H2,1-2H3,(H,26,28)/t19-,20+/m1/s1
InChIKey: DNPSVQYQTPYSPH-UXHICEINSA-N
Reference
Isolation of New Tremorgenic Metabolites from an Ascomycete, Corynascus setosus.
PubChem CID: 10091548
LOTUS: LTS0043330
{NPAtlas: NPA011943
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Neosartorya | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Neosartorya | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 386.45500000000015
TPSA？: 83.27000000000001
MolLogP？: 4.328800000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cricetulus griseus | V79 | LD50 | 1.91 | uM | 10.1021/acsmedchemlett.1c00589 |
| Homo sapiens | THP-1 | CC50 | 100000.0 | nM | 10.1021/acsmedchemlett.1c00589 |
| Leishmania infantum | Leishmania infantum | Inhibition | nan | % | 10.1021/acsmedchemlett.1c00589 |
| Plasmodium falciparum | Hemozoin | Inhibition | nan | % | 10.1021/acsmedchemlett.1c00589 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 100.0 | nM | 10.1021/acsmedchemlett.1c00589 |
| Trypanosoma brucei | Trypanosoma brucei | Inhibition | nan | % | 10.1021/acsmedchemlett.1c00589 |
| None | ADMET | Ratio LD50/IC50 | 19.0 | None | 10.1021/acsmedchemlett.1c00589 |
| None | Unchecked | Activity | 6.0 | % | 10.1021/acsmedchemlett.1c00589 |
| None | Unchecked | Activity | nan | None | 10.1021/acsmedchemlett.1c00589 |