Details of the Drug

General Information of Drug (ID: DM3BHN1)

Drug Name

Etomoxir

Synonyms

ETOMOXIR; 82258-36-4; rac- Etomoxir; Etomoxirum [Latin]; Ethyl 2-(6-(4-chlorophenoxy)hexyl)oxirane-2-carboxylate; BRN 4496620; Oxiranecarboxylic acid, 2-(6-(4-chlorophenoxy)hexyl)-, ethyl ester; B 807-54; Ethyl 2-(6-(4-chlorophenoxy)hexyl)oxiranecarboxylate; Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, ethyl ester- [CAS]; Etomoxirum; etomoxir[inn]; SMR000449321; Rac-Etomoxir Ethyl Ester; C17H23ClO4; ethyl 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate; etoxomir; AC1L3XCY; MLS001424024; MLS000758228; SCHEMBL681359

Indication

Disease Entry	ICD 11	Status	REF
Heart failure	BD10-BD13	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

326.8

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C17H23ClO4
IUPAC Name: ethyl (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
Canonical SMILES: CCOC(=O)[C@]1(CO1)CCCCCCOC2=CC=C(C=C2)Cl
InChI: InChI=1S/C17H23ClO4/c1-2-20-16(19)17(13-22-17)11-5-3-4-6-12-21-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3/t17-/m1/s1
InChIKey: DZLOHEOHWICNIL-QGZVFWFLSA-N

Cross-matching ID

PubChem CID: 9840324
ChEBI ID: CHEBI:95011
CAS Number: 124083-20-1
TTD ID: D00UEQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carnitine O-palmitoyltransferase I (CPT1B)	TTDL0NY	CPT1B_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Etomoxir, a carnitine palmitoyltransferase I inhibitor, protects hearts from fatty acid-induced ischemic injury independent of changes in long chain acylcarnitine. Circ Res. 1988 Dec;63(6):1036-43.