Gelliusine E; (±)-form
AlkaPlorer ID: AK064541
Synonym: None
IUPAC Name: 2-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]-3-(2-aminoethyl)-1H-indol-5-ol
Structure
SMILES: NCCC1=C(C(CN)C2=CNC3=C2C=CC(Br)=C3)NC2=C1C=C(O)C=C2
InChI: InChI=1S/C20H21BrN4O/c21-11-1-3-13-17(10-24-19(13)7-11)16(9-23)20-14(5-6-22)15-8-12(26)2-4-18(15)25-20/h1-4,7-8,10,16,24-26H,5-6,9,22-23H2
InChIKey: XDYZPDVYNZANQI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Haliclona | Chalinidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Haliclona | Chalinidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 413.3190000000001
TPSA？: 103.85
MolLogP？: 3.709100000000001
Number of H-Donors: 5
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Bradykinin B2 receptor | Inhibition | 63.0 | % | 10.1021/np50122a017 |
| Homo sapiens | Calcitonin gene-related peptide type 1 receptor | Activity | nan | None | 10.1021/np50122a017 |
| Homo sapiens | Neurokinin 3 receptor | Activity | nan | None | 10.1021/np50122a017 |
| Rattus norvegicus | Somatostatin receptor | Activity | 87.0 | % | 10.1021/np50122a017 |
| None | Unchecked | Activity | nan | None | 10.1021/np50122a017 |
| None | Unchecked | IC50 | 50000.0 | nM | 10.1021/np50122a017 |
| None | Unchecked | Inhibition | 63.0 | % | 10.1021/np50122a017 |