Details of the Drug

General Information of Drug (ID: DMKZJVA)

Drug Name

LY214352

Synonyms

8-Chloro-4-(2-chloro-4-fluorophenoxy)quinoline; 124495-31-4; Quinoline,8-chloro-4-(2-chloro-4-fluorophenoxy)-; LY214352; AC1L2WYE; ACMC-1C12P; SCHEMBL7044612; CTK4B3930; DTXSID10154407; ZXLMSTBJMZJAAH-UHFFFAOYSA-N; LY-214352; 8-chloro-4-(2-chloro-4-fluorophenoxy) quinoline

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): 1

Molecular Weight (mw)

308.1

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H8Cl2FNO
IUPAC Name: 8-chloro-4-(2-chloro-4-fluorophenoxy)quinoline
Canonical SMILES: C1=CC2=C(C=CN=C2C(=C1)Cl)OC3=C(C=C(C=C3)F)Cl
InChI: InChI=1S/C15H8Cl2FNO/c16-11-3-1-2-10-13(6-7-19-15(10)11)20-14-5-4-9(18)8-12(14)17/h1-8H
InChIKey: ZXLMSTBJMZJAAH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 130197
CAS Number: 124495-31-4
TTD ID: D09EAO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Identification of a new antifungal target site through a dual biochemical and molecular-genetics approach. Curr Genet. 1996 Jul 31;30(2):159-65.