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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:132841
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.