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]
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
CHEMBL187709
CAS Number
78-41-1
TTD ID
D0K6NS
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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 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) Jump to Detail Molecular Expression Atlas of This Drug

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.