SB-205384

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H18N2O3S
Molecular Weight	330.401
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC#CCOC(=O)C1=C(N)C2=C(SC3=C2CCC(O)C3)N=C1C

InChI

InChIKey=JDTZAGLGBRRCJT-UHFFFAOYSA-N

InChI=1S/C17H18N2O3S/c1-3-4-7-22-17(21)13-9(2)19-16-14(15(13)18)11-6-5-10(20)8-12(11)23-16/h10,20H,5-8H2,1-2H3,(H2,18,19)

HIDE SMILES / InChI

Molecular Formula	C17H18N2O3S
Molecular Weight	330.401
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Potency
GABA receptor alpha-6 subunit 1 Target ID: CHEMBL293 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23902941	Positive Allosteric Modulator 179	280.4 nM [EC50]
GABA receptor alpha-3 subunit 6 Target ID: CHEMBL328 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23902941	Positive Allosteric Modulator 179	695.5 nM [EC50]
GABA A receptor alpha-5/beta-3/gamma-2 2 Target ID: CHEMBL2111374 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23902941	Positive Allosteric Modulator 179	730.0 nM [EC50]
GABA A receptor alpha-3/beta-2/gamma-2 4 Target ID: CHEMBL2111339 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9559912	Positive Allosteric Modulator 179

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:02:15 GMT 2023` Edited by `admin` on `Sat Dec 16 18:02:15 GMT 2023`
Record UNII	2ET95KZ3BK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SB-205384

Code

English

(+)-SB-205384

Common Name

English

(+)-SB205384

Common Name

English

2-BUTYN-1-YL 4-AMINO-5,6,7,8-TETRAHYDRO-7-HYDROXY-2-METHYL(1)BENZOTHIENO(2,3-B)PYRIDINE-3-CARBOXYLATE

Systematic Name

English

BUT-2-YNYL 4-AMINO-7-HYDROXY-2-METHYL-5,6,7,8-TETRAHYDRO-(1)BENZOTHIOLO(2,3-B)PYRIDINE-3-CARBOXYLATE

Systematic Name

English

SB205384

Code

English

(+)-2-BUTYN-1-YL 4-AMINO-5,6,7,8-TETRAHYDRO-7-HYDROXY-2-METHYL(1)BENZOTHIENO(2,3-B)PYRIDINE-3-CARBOXYLATE

Systematic Name

English

(1)BENZOTHIENO(2,3-B)PYRIDINE-3-CARBOXYLIC ACID, 4-AMINO-5,6,7,8-TETRAHYDRO-7-HYDROXY-2-METHYL-, 2-BUTYN-1-YL ESTER, (+)-

Systematic Name

English

(1)BENZOTHIENO(2,3-B)PYRIDINE-3-CARBOXYLIC ACID, 4-AMINO-5,6,7,8-TETRAHYDRO-7-HYDROXY-2-METHYL-, 2-BUTYN-1-YL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

197690

Created by admin on Sat Dec 16 18:02:15 GMT 2023 , Edited by admin on Sat Dec 16 18:02:15 GMT 2023

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FDA UNII

2ET95KZ3BK

Created by admin on Sat Dec 16 18:02:15 GMT 2023 , Edited by admin on Sat Dec 16 18:02:15 GMT 2023

PRIMARY

CAS

207727-26-2

Created by admin on Sat Dec 16 18:02:15 GMT 2023 , Edited by admin on Sat Dec 16 18:02:15 GMT 2023

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