3-BROMOCYTISINE

[H][C@@]12CNC[C@@]([H])(C1)C3=CC=C(Br)C(=O)N3C2

InChIKey=DWDCLEHDNICBMI-JGVFFNPUSA-N

InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2/t7-,8+/m0/s1

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Targets

Primary Target	Pharmacology	Potency
Neuronal acetylcholine receptor; alpha4/beta2 76 Target ID: CHEMBL1907596 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11553677	Agonist 2678	0.3 nM [IC50]
Neuronal acetylcholine receptor protein alpha-7 subunit 77 Target ID: CHEMBL2492 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11553677	Agonist 2678	31.6 nM [IC50]
Neuronal acetylcholine receptor; alpha4/beta4 7 Target ID: CHEMBL1907591 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11553677	Agonist 2678	0.28 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:32:36 GMT 2023` Edited by `admin` on `Sat Dec 16 18:32:36 GMT 2023`
Record UNII	PL64C996QA
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

3-BROMOCYTISINE

Common Name

English

(1R,5S)-9-BROMO-1,2,3,4,5,6-HEXAHYDRO-1,5-METHANO-8H-PYRIDO(1,2-A)(1,5)DIAZOCIN-8-ONE

Systematic Name

English

1,5-METHANO-8H-PYRIDO(1,2-A)(1,5)DIAZOCIN-8-ONE, 9-BROMO-1,2,3,4,5,6-HEXAHYDRO-, (1R,5S)-

Systematic Name

English

1,5-METHANO-8H-PYRIDO(1,2-A)(1,5)DIAZOCIN-8-ONE, 9-BROMO-1,2,3,4,5,6-HEXAHYDRO-, (1R-CIS)-

Systematic Name

English

(-)-3-BROMOCYTISINE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID001045687