6-Bromo-2-(1,1-dimethyl-2-propenyl)tryptamine; Nb-Me
AlkaPlorer ID: AK051251
Synonym: Deformylflustrabromine
IUPAC Name: 2-[6-bromo-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-N-methylethanamine
Structure
SMILES: C=CC(C)(C)C1=C(CCNC)C2=CC=C(Br)C=C2N1
InChI: InChI=1S/C16H21BrN2/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15/h5-7,10,18-19H,1,8-9H2,2-4H3
InChIKey: GQHSCJUTJKLZPX-UHFFFAOYSA-N
Reference
Prenylated Indole Alkaloids from<i>Flustra foliacea</i>with Subtype Specific Binding on NAChRs
PubChem CID: 637026
LOTUS: LTS0128823
NPASS: NPC2272
COCONUT: CNP0222789
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 321.262
TPSA？: 27.82
MolLogP？: 4.155900000000003
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | IC50 | 174000.0 | nM | 10.1016/j.ejmech.2020.112945 |
| Homo sapiens | Neuronal acetylcholine receptor; alpha4/beta2 | Activity | 295.0 | % | 10.1016/j.bmcl.2007.06.047 |
| Homo sapiens | Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | 150000.0 | nM | 10.1016/j.bmcl.2007.06.047 |
| Homo sapiens | Neuronal acetylcholine receptor protein alpha-7 subunit | IC50 | 44000.0 | nM | 10.1016/j.bmcl.2007.06.047 |
| Rattus norvegicus | Sodium channel protein type II alpha subunit | Activity | nan | None | 10.1021/np0105984 |
| Rattus norvegicus | Voltage-gated potassium channel subunit Kv1.1 | Activity | nan | None | 10.1021/np0105984 |
| Rattus norvegicus | Voltage-gated potassium channel subunit Kv1.4 | Activity | nan | None | 10.1021/np0105984 |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | 70000.0 | nM | 10.1016/j.ejmech.2020.112945 |