Details of the Drug

General Information of Drug (ID: DM0FGDO)

Drug Name

ACCLAIM

Synonyms

Depon; Excel; Furore; PUMA; Whip; Fenoxaprop ethyl; Fenoxaprop ethyl ester; Fenoxaprop ethyl ester [ANSI]; Tiller Herbicide; HOE 33171; FENOXAPROP-ETHYL; HOE-A 25-01; Ethyl 2-(4-((6-chlorobenzoxazol-2-yl)oxy)phenoxy)propionate; Ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate; Ethyl (D+)-2-(4-(6-chlor-2-benzoxazolyloxy)phenoxy)propanoate; Ethyl (D+)-2-(4-(6-chlor-2-benzoxazolyloxy)phenoxy)propanoate [French]; Ethyl 2-(4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy)propanoate; Ethyl 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate; Ethyl-2-((4-(6-chloro-2-benzoxazolyloxy))-phenoxy)propionate; Ethyl (+-)-2-(4-(6-chloro-2-benzoxazolyloxy)phenoxy)propanoate; Propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, ethyl ester; (+/-)-2-(4-((6-Chloro-2-benzoxazolyl)oxy)phenoxy)propanoic acid ethyl ester; 2-(4-((6-Chloro-2-benzoxazolylen)oxy)phenoxy)propanoic acid, ethyl ester

Indication

Disease Entry	ICD 11	Status	REF
Angina pectoris	BA40	Phase 2	[1]
Coronary artery disease	BA80	Phase 2	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

361.8

Topological Polar Surface Area (xlogp)

4.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C18H16ClNO5
IUPAC Name: ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
Canonical SMILES: CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
InChI: InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3
InChIKey: PQKBPHSEKWERTG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 47938
ChEBI ID: CHEBI:5008
CAS Number: 66441-23-4
DrugBank ID: DB05252
TTD ID: D0J7EH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Stimulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT01116427) A Cooperative Clinical Study of Abatacept in Multiple Sclerosis. U.S. National Institutes of Health.
2	CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
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4	Counter-regulation by atorvastatin of gene modulations induced by L-NAME hypertension is associated with vascular protection. Vascul Pharmacol. 2009 Oct;51(4):253-61.
5	Nitric oxide synthase inhibition with the antipterin VAS203 improves outcome in moderate and severe traumatic brain injury: a placebo-controlled randomized Phase IIa trial (NOSTRA). J Neurotrauma. 2014 Oct 1;31(19):1599-606.
6	Nitric oxide synthase inhibitor (MTR-105) during open-heart surgery. A pilot double-blind placebo-controlled study of hemodynamic effects and safety. Cardiology. 2008;111(3):181-7.
7	Feasibility of using autologous transplantation to evaluate hematopoietic stem cell-based gene therapy strategies in transgenic mouse models of human disease. Mol Ther. 2002 Sep;6(3):422-8.
8	Discovery of a series of aminopiperidines as novel iNOS inhibitors. Bioorg Med Chem Lett. 2008 Jan 1;18(1):336-43.
9	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
10	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.