L-745870 TRIHYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H19ClN4.3ClH
Molecular Weight	436.206
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.Cl.ClC1=CC=C(C=C1)N2CCN(CC3=CNC4=C3C=CC=N4)CC2

InChI

InChIKey=KJSOYZLYCFYXFC-UHFFFAOYSA-N

InChI=1S/C18H19ClN4.3ClH/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18;;;/h1-7,12H,8-11,13H2,(H,20,21);3*1H

HIDE SMILES / InChI

Molecular Formula	C18H19ClN4
Molecular Weight	326.823
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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	Condition	Potency
Dopamine D4 receptor 71 Target ID: CHEMBL219 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9353380\|https://www.ncbi.nlm.nih.gov/pubmed/9400001	Antagonist 2778		1.0 nM [IC50]

PubMed

Title	Date	PubMed
Synthesis of potent and selective dopamine D(4) antagonists as candidate radioligands.	2001 Jun 4	11378358
Pharmacological and functional characterisation of dopamine D4 receptors in the rat retina.	2003 Jun	12763097
2-[4-(3,4-Dimethylphenyl)piperazin-1-ylmethyl]-1H benzoimidazole (A-381393), a selective dopamine D4 receptor antagonist.	2005 Jul	15992586

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:53:21 GMT 2023` Edited by `admin` on `Sat Dec 16 14:53:21 GMT 2023`
Record UNII	8H9TSV2PSX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-745870 TRIHYDROCHLORIDE

Code

English

3-((4-(4-CHLOROPHENYL)-1-PIPERAZINYL)METHYL)-1H-PYRROLO(2,3-B)PYRIDINE TRIHYDROCHLORIDE

Systematic Name

English

1H-PYRROLO(2,3-B)PYRIDINE, 3-((4-(4-CHLOROPHENYL)-1-PIPERAZINYL)METHYL)-, HYDROCHLORIDE (1:3)

Systematic Name

English

Code System Code Type Description

FDA UNII

8H9TSV2PSX

Created by admin on Sat Dec 16 14:53:22 GMT 2023 , Edited by admin on Sat Dec 16 14:53:22 GMT 2023

PRIMARY

CAS

866021-03-6

Created by admin on Sat Dec 16 14:53:22 GMT 2023 , Edited by admin on Sat Dec 16 14:53:22 GMT 2023

PRIMARY

PUBCHEM

49759035

Created by admin on Sat Dec 16 14:53:22 GMT 2023 , Edited by admin on Sat Dec 16 14:53:22 GMT 2023

PRIMARY

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L-745870

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