Didemnidine B
AlkaPlorer ID: AK091460
Synonym: None
IUPAC Name: N-[3-(4-aminobutylamino)propyl]-2-(6-bromo-1H-indol-3-yl)-2-oxoacetamide
Structure
SMILES: NCCCCNCCCNC(=O)C(=O)C1=CNC2=C1C=CC(Br)=C2
InChI: InChI=1S/C17H23BrN4O2/c18-12-4-5-13-14(11-22-15(13)10-12)16(23)17(24)21-9-3-8-20-7-2-1-6-19/h4-5,10-11,20,22H,1-3,6-9,19H2,(H,21,24)
InChIKey: IAMCWSVWBJVYIO-UHFFFAOYSA-N
Reference
Didemnidines A and B, Indole Spermidine Alkaloids from the New Zealand Ascidian<i>Didemnum</i>sp.
PubChem CID: 52950926
LOTUS: LTS0039034
NPASS: NPC89388
COCONUT: CNP0270387
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Didemnum sp. | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 395.301
TPSA？: 100.01
MolLogP？: 1.9479000000000004
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania donovani | Leishmania donovani | IC50 | 40000.0 | nM | 10.1016/j.ejmech.2017.08.014 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 40000.0 | nM | 10.1016/j.ejmech.2017.08.014 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 40000.0 | nM | 10.1016/j.ejmech.2017.08.014 |