ATC-0065

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H29BrF3N5O.2ClH
Molecular Weight	625.352
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.CN(C)C1=C2C=CC=CC2=NC(N[C@@H]3CC[C@@H](CC3)NCCC4=CC=C(Br)C=C4OC(F)(F)F)=N1

InChI

InChIKey=BPGUWYBAINNZQH-LFOVFOEYSA-N

InChI=1S/C25H29BrF3N5O.2ClH/c1-34(2)23-20-5-3-4-6-21(20)32-24(33-23)31-19-11-9-18(10-12-19)30-14-13-16-7-8-17(26)15-22(16)35-25(27,28)29;;/h3-8,15,18-19,30H,9-14H2,1-2H3,(H,31,32,33);2*1H/t18-,19+;;

HIDE SMILES / InChI

Molecular Formula	C25H29BrF3N5O
Molecular Weight	552.43
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15677346

ATC-0065 is an oral antagonist of melanin concentrating hormone receptor 1. In preclinical testing ATC-0065 demonstrated anxiolytic and antidepressant activity.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Melanin-concentrating hormone receptor 1 5 Target ID: Q99705 Gene ID: 2847.0 Gene Symbol: MCHR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/15677346	Antagonist 2778		15.7 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Anxiety 267 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15677346	Primary		Preclinical	Unknown Approved Use Unknown
Depression 235 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15677346	Primary		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Anxiolytic- and antidepressant-like profile of ATC0065 and ATC0175: nonpeptidic and orally active melanin-concentrating hormone receptor 1 antagonists.	2005 May	15677346

Patents

Sample Use Guides

In Vivo Use Guide

ATC-0065 is administered orally at a dose of 3–30 mg/kg (rat model).

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:00:06 GMT 2023` Edited by `admin` on `Sat Dec 16 11:00:06 GMT 2023`
Record UNII	3Q2C0BZD71
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATC-0065

Common Name

English

2,4-QUINAZOLINEDIAMINE, N2-(CIS-4-((2-(4-BROMO-2-(TRIFLUOROMETHOXY)PHENYL)ETHYL)AMINO)CYCLOHEXYL)-N4,N4-DIMETHYL-, HYDROCHLORIDE (1:2)

Systematic Name

English

2,4-QUINAZOLINEDIAMINE, N2-(CIS-4-((2-(4-BROMO-2-(TRIFLUOROMETHOXY)PHENYL)ETHYL)AMINO)CYCLOHEXYL)-N4,N4-DIMETHYL-, DIHYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

11479128

Created by admin on Sat Dec 16 11:00:06 GMT 2023 , Edited by admin on Sat Dec 16 11:00:06 GMT 2023

PRIMARY

FDA UNII

3Q2C0BZD71

Created by admin on Sat Dec 16 11:00:06 GMT 2023 , Edited by admin on Sat Dec 16 11:00:06 GMT 2023

PRIMARY

CAS

510732-84-0

Created by admin on Sat Dec 16 11:00:06 GMT 2023 , Edited by admin on Sat Dec 16 11:00:06 GMT 2023

PRIMARY

Related Record Type Details


					Y778RDH3Y6

ATC-0065 FREE BASE

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/15677346

CNS Activity

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15677346