6-Bromo-N-methyltryptamine
AlkaPlorer ID: AK050080
Synonym: '2-(6-bromo-1H-indol-3-yl)-N-methylethanamine', '6-bromo-N-methyltryptamine'
IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-N-methylethanamine
Structure
SMILES: CNCCC1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C11H13BrN2/c1-13-5-4-8-7-14-11-6-9(12)2-3-10(8)11/h2-3,6-7,13-14H,4-5H2,1H3
InChIKey: DZAHGJRRYXTGNV-UHFFFAOYSA-N
Reference
PubChem CID: 10924232
CAS: 209169-05-1
LOTUS: LTS0042084
NPASS: NPC141926
COCONUT: CNP0129627
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Paramuricea clavata | Paramuricea | Plexauridae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 253.143
TPSA？: 27.82
MolLogP？: 2.6923000000000004
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | 39810.72 | nM | 10.1021/jm200834x |
| Homo sapiens | Neuronal acetylcholine receptor; alpha4/beta2 | pEC50 | nan | None | 10.1021/jm200834x |
| Homo sapiens | Neuronal acetylcholine receptor protein alpha-7 subunit | EC50 | 10964.78 | nM | 10.1021/jm200834x |