Details of the Drug

General Information of Drug (ID: DM7Y4GT)

Drug Name

T-226293

Synonyms

Triparanol; TRIPARANOL; Metasqualene; MER 29; 78-41-1; triparanolum; valip; Metasclene; Clotrox; Triparanolo [DCIT]; Hipocolestina; Acosterina; Drenaren; Diticyl; Triparanol [INN:BAN]; Triparanolum [INN-Latin]; EINECS 201-115-0; NSC 65345; BRN 2064866; 1-(4-(2-Diethylaminoethoxy)phenyl)-1-p-tolyl-2-(4-chlorophenyl)ethanol; CHEMBL187709; 2-p-Chlorophenyl-1-(p-(2-diethylaminoethoxy)phenyl)-1-p-tolylethanol; 1-(4-(2-(Diethylamino)ethoxy)phenyl)-1-(p-tolyl)-2-(p-chlorophenyl)ethanol; NCGC00165907-02

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

438

Logarithm of the Partition Coefficient (xlogp)

6.2

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C27H32ClNO2
IUPAC Name: 2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methylphenyl)ethanol
Canonical SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)C)O
InChI: InChI=1S/C27H32ClNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h6-17,30H,4-5,18-20H2,1-3H3
InChIKey: SYHDSBBKRLVLFF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6536
ChEBI ID: CHEBI:135714
CAS Number: 78-41-1
TTD ID: D0K6NS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Delta(24)-sterol reductase (DHCR24)	TTTK0NH	DHC24_HUMAN	Inhibitor	[2]
Melanin-concentrating hormone receptor 1 (MCHR1)	TTX4RTB	MCHR1_HUMAN	Antagonist	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Obesity

ICD Disease Classification

5B81

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Melanin-concentrating hormone receptor 1 (MCHR1)	DTT	MCHR1	6.98E-01	-0.01	-0.04

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.
2	Antilipemic drug-induced skin manifestations. Hautarzt. 1995 Feb;46(2):76-80.