Details of the Drug

General Information of Drug (ID: DMALRU9)

Drug Name
Clodinafop
Synonyms
Propanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-; 87135-08-8; AC1L3BBN; SCHEMBL1535846; CTK3C5537; DTXSID60275833; YUIKUTLBPMDDNQ-UHFFFAOYSA-N; 2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid; 2-[4-(5-chloro-3-fluoropyridin-2-yloxy)phenoxy]propionic acid; 2-[4-(5-chloro-3-fluoropyrdin-2-yloxy)phenoxy]propionic acid; 2-[4-[(5-chloro-3-fluoro-2-pyridyl)oxy]phenoxy]propanoic acid; (+)-[4-(5-chloro-3-fluoropyridin-2-yloxy)-phenoxy]-propionic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 311.69
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C14H11ClFNO4
IUPAC Name
(2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid
Canonical SMILES
C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F
InChI
InChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
InChIKey
YUIKUTLBPMDDNQ-MRVPVSSYSA-N
Cross-matching ID
PubChem CID
5483847
ChEBI ID
CHEMBL132841
CAS Number
114420-56-3
TTD ID
D05RRI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Acetyl-CoA carboxylase 1 (Malaria ACC1) TTYAWV0 Q9U752_PLAFA Binder [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The apicoplast as an antimalarial drug target. Drug Resist Updat. 2001 Jun;4(3):145-51.