DESFORMYLFLUSTRABROMINE

CNCCC1=C(NC2=CC(Br)=CC=C12)C(C)(C)C=C

InChIKey=GQHSCJUTJKLZPX-UHFFFAOYSA-N

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

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Targets

Primary Target	Pharmacology	Potency
Neuronal acetylcholine receptor; alpha4/beta2 76 Target ID: CHEMBL1907589 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25870334\|https://www.ncbi.nlm.nih.gov/pubmed/17604168	Positive Allosteric Modulator 179	6.48 null [pEC50]
Muscle-type nicotinic acetylcholine receptor 65 Target ID: CHEMBL2362997 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25870334	Inhibitor 8297	1.0 µM [IC50]
Acetylcholine receptor; alpha1/beta1/delta/gamma 3 Target ID: CHEMBL1907588 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25870334	Inhibitor 8297	1.0 µM [IC50]
Nicotinic acetylcholine receptor alpha2/beta2 1 Target ID: CHEMBL3038458 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25870334	Positive Allosteric Modulator 179

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:00:37 GMT 2023` Edited by `admin` on `Sat Dec 16 17:00:37 GMT 2023`
Record UNII	24C2SY7KUV
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

DESFORMYLFLUSTRABROMINE

Common Name

English

1H-Indole-3-ethanamine, 6-bromo-2-(1,1-dimethyl-2-propen-1-yl)-N-methyl-

Systematic Name

English

6-Bromo-2-(1,1-dimethyl-2-propen-1-yl)-N-methyl-1H-indole-3-ethanamine

Systematic Name

English

Deformylflustrabromine

Common Name

English

Code System Code Type Description

CAS

474657-72-2