PD-168077 MALEATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22N4O.C4H4O4
Molecular Weight	450.487
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.CC1=CC(=CC=C1)C(=O)NCN2CCN(CC2)C3=C(C=CC=C3)C#N

InChI

InChIKey=NAEUGRPISCANHO-BTJKTKAUSA-N

InChI=1S/C20H22N4O.C4H4O4/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;5-3(6)1-2-4(7)8/h2-8,13H,9-12,15H2,1H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Potency
Dopamine D4 receptor 76 Target ID: CHEMBL219 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Agonist 2752	8.7 nM [Ki]
Dopamine D3 receptor 97 Target ID: CHEMBL234 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Binding Agent 1076	2.81 µM [Ki]
Dopamine D2 receptor 311 Target ID: CHEMBL217 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Binding Agent 1076	3.74 µM [Ki]
Adrenergic receptor alpha-1 171 Target ID: CHEMBL2094251 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Binding Agent 1076	168.0 nM [Ki]
Adrenergic receptor alpha-2 114 Target ID: CHEMBL2095158 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Binding Agent 1076	177.0 nM [Ki]
Serotonin 1a (5-HT1a) receptor 177 Target ID: CHEMBL214 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Binding Agent 1076	385.0 nM [Ki]
Serotonin 2a (5-HT2a) receptor 237 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9191952	Binding Agent 1076	4.01 µM [Ki]

Name

Type

Language

PD-168077 MALEATE

Code

English

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

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

1186217-34-4