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
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
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
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.