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Details

Stereochemistry ACHIRAL
Molecular Formula C25H29BrF3N5O
Molecular Weight 552.43
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATC-0065 FREE BASE

SMILES

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=FWKVXHBRMCTKHZ-KDURUIRLSA-N
InChI=1S/C25H29BrF3N5O/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)/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

Description

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

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Melanin-concentrating hormone receptor 1
5
Target ID: Q99705
Gene ID: 2847.0
Gene Symbol: MCHR1
Target Organism: Homo sapiens (Human)
Antagonist
2778
 15.7 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Preclinical
Unknown

Approved Use

Unknown
Primary
Preclinical
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Anxiolytic- and antidepressant-like profile of ATC0065 and ATC0175: nonpeptidic and orally active melanin-concentrating hormone receptor 1 antagonists.
2005 May
Patents

Patents

07544690
30
20070037836
4
7544690
2
US7544690
2

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 10:04:35 GMT 2023
Edited
by admin
on Sat Dec 16 10:04:35 GMT 2023
Record UNII
Y778RDH3Y6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATC-0065 FREE BASE
Common Name English
2,4-QUINAZOLINEDIAMINE, N2-(CIS-4-((2-(4-BROMO-2-(TRIFLUOROMETHOXY)PHENYL)ETHYL)AMINO)CYCLOHEXYL)-N4,N4-DIMETHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID901108171
Created by admin on Sat Dec 16 10:04:35 GMT 2023 , Edited by admin on Sat Dec 16 10:04:35 GMT 2023
PRIMARY
CAS
509145-82-8
Created by admin on Sat Dec 16 10:04:35 GMT 2023 , Edited by admin on Sat Dec 16 10:04:35 GMT 2023
PRIMARY
PUBCHEM
11238212
Created by admin on Sat Dec 16 10:04:35 GMT 2023 , Edited by admin on Sat Dec 16 10:04:35 GMT 2023
PRIMARY
FDA UNII
Y778RDH3Y6
Created by admin on Sat Dec 16 10:04:35 GMT 2023 , Edited by admin on Sat Dec 16 10:04:35 GMT 2023
PRIMARY
Related Record Type Details
Structure of ATC-0065 FREE BASE
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