Gelliusine E; (±)-form, 5-Deoxy, 6-bromo
AlkaPlorer ID: AK159354
Synonym: Gelliusine F
IUPAC Name: 2-[3-(2-aminoethyl)-6-bromo-1H-indol-2-yl]-2-(6-bromo-1H-indol-3-yl)ethanamine
Structure
SMILES: NCCC1=C(C(CN)C2=CNC3=C2C=CC(Br)=C3)NC2=C1C=CC(Br)=C2
InChI: InChI=1S/C20H20Br2N4/c21-11-2-4-14-17(10-25-18(14)7-11)16(9-24)20-15(5-6-23)13-3-1-12(22)8-19(13)26-20/h1-4,7-8,10,16,25-26H,5-6,9,23-24H2
InChIKey: OIMJVUYYZQBQMK-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: 476.21600000000007
TPSA？: 83.62
MolLogP？: 4.766000000000003
Number of H-Donors: 4
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Bradykinin B2 receptor | Inhibition | 89.0 | % | 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 | 91.0 | % | 10.1021/np50122a017 |
| None | Unchecked | Activity | nan | None | 10.1021/np50122a017 |
| None | Unchecked | IC50 | 10000.0 | nM | 10.1021/np50122a017 |
| None | Unchecked | Inhibition | 67.0 | % | 10.1021/np50122a017 |