PD-168077

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22N4O
Molecular Weight	334.4156
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cc1cccc(c1)C(=NCN2CCN(CC2)c3ccccc3C#N)O

InChI

InChIKey=DNULYRGWTFLJQL-UHFFFAOYSA-N

InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)

HIDE SMILES / InChI

Molecular Formula	C20H22N4O
Molecular Weight	334.4156
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
Dopamine D4 receptor 66 Target ID: CHEMBL219 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Agonist 2470	8.7 nM [Ki]
Dopamine D3 receptor 85 Target ID: CHEMBL234 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Binding Agent 996	2.81 µM [Ki]
Dopamine D2 receptor 283 Target ID: CHEMBL217 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Binding Agent 996	3.74 µM [Ki]
Adrenergic receptor alpha-1 161 Target ID: CHEMBL2094251 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Binding Agent 996	168.0 nM [Ki]
Adrenergic receptor alpha-2 109 Target ID: CHEMBL2095158 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Binding Agent 996	177.0 nM [Ki]
Serotonin 1a (5-HT1a) receptor 162 Target ID: CHEMBL214 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Binding Agent 996	385.0 nM [Ki]
Serotonin 2a (5-HT2a) receptor 211 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Binding Agent 996	4.01 µM [Ki]

Substance Class	Chemical Created by `admin` on `Sat Jun 26 14:07:47 UTC 2021` Edited by `admin` on `Sat Jun 26 14:07:47 UTC 2021`
Record UNII	2A5XS99U8Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PD-168077

Code

English

PD-168,077

Common Name

English

BENZAMIDE, N-((4-(2-CYANOPHENYL)-1-PIPERAZINYL)METHYL)-3-METHYL-

Systematic Name

English

N-((4-(2-CYANOPHENYL)-1-PIPERAZINYL)METHYL)-3-METHYLBENZAMIDE

Systematic Name

English

N-((4-(2-CYANOPHENYL)PIPERAZIN-1-YL)METHYL)-3-METHYL-BENZAMIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

3645619

Created by admin on Sat Jun 26 14:07:47 UTC 2021 , Edited by admin on Sat Jun 26 14:07:47 UTC 2021

PRIMARY

CAS

190383-31-4

Created by admin on Sat Jun 26 14:07:47 UTC 2021 , Edited by admin on Sat Jun 26 14:07:47 UTC 2021

PRIMARY

FDA UNII

2A5XS99U8Q

Created by admin on Sat Jun 26 14:07:47 UTC 2021 , Edited by admin on Sat Jun 26 14:07:47 UTC 2021

PRIMARY

Related Record Type Details


					RI471QC62V

D(4) DOPAMINE RECEPTOR

TARGET -> AGONIST


					9YX2UJ5W5P

PD-168077 MALEATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					2A5XS99U8Q

PD-168077

ACTIVE MOIETY