CGS 12066B-PARENT

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H17F3N4
Molecular Weight	334.3389
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C=CC=C24

InChI

InChIKey=LXFHSCDLMBZYKY-UHFFFAOYSA-N

InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3

HIDE SMILES / InChI

Molecular Formula	C17H17F3N4
Molecular Weight	334.3389
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serotonin 2a (5-HT2a) receptor 231 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15322733	Agonist 2678	5.37 null [pKi]
Serotonin 2b (5-HT2b) receptor 60 Target ID: CHEMBL1833 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15322733	Agonist 2678	6.06 null [pKi]
Serotonin 2c (5-HT2c) receptor 124 Target ID: CHEMBL225 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15322733	Agonist 2678	5.6 null [pKi]
Serotonin 1b (5-HT1b) receptor 46 Target ID: CHEMBL1898 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15748881	Agonist 2678

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:03:53 GMT 2023` Edited by `admin` on `Sat Dec 16 08:03:53 GMT 2023`
Record UNII	5TB4SXQ7HG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CGS 12066B-PARENT

Common Name

English

7-(TRIFLUOROMETHYL)-4-(4-METHYLPIPERAZIN-1-YL)PYRROLO(1,2-A)QUINOXALINE

Systematic Name

English

J336.559J

Code

English

CGS 12066

Code

English

PYRROLO(1,2-A)QUINOXALINE, 4-(4-METHYL-1-PIPERAZINYL)-7-(TRIFLUOROMETHYL)-

Systematic Name

English

CGS-12066

Code

English

Code System Code Type Description

CAS

109028-09-3

Created by admin on Sat Dec 16 08:03:53 GMT 2023 , Edited by admin on Sat Dec 16 08:03:53 GMT 2023

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FDA UNII

5TB4SXQ7HG

Created by admin on Sat Dec 16 08:03:53 GMT 2023 , Edited by admin on Sat Dec 16 08:03:53 GMT 2023

PRIMARY

PUBCHEM

2689

Created by admin on Sat Dec 16 08:03:53 GMT 2023 , Edited by admin on Sat Dec 16 08:03:53 GMT 2023

PRIMARY

EPA CompTox

DTXSID3043730

Created by admin on Sat Dec 16 08:03:53 GMT 2023 , Edited by admin on Sat Dec 16 08:03:53 GMT 2023

PRIMARY

Related Record Type Details


					VJ9I4R0C0C

CGS-12066B

SALT/SOLVATE -> PARENT

Amount:


					UE9PX4FTL0

5-HYDROXYTRYPTAMINE RECEPTOR 1B

TARGET -> AGONIST

Interaction Type:

BINDING

Qualification:

IC50

Amount: