Details of the Drug

General Information of Drug (ID: DMLX9SI)

Drug Name

3-[3-(2-Hydroxy-ethoxy)-phenyl]-1H-quinolin-2-one

Synonyms

CHEMBL97218; AC1OCFMJ; 3-[3-(2-hydroxyethoxy)phenyl]-1H-quinolin-2-one; 3-[3-(2-Hydroxy-ethoxy)-phenyl]-1H-quinolin-2-one; ZINC13584303; BDBM50105767

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)

281.3

Topological Polar Surface Area (xlogp)

2.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H15NO3
IUPAC Name: 3-[3-(2-hydroxyethoxy)phenyl]-1H-quinolin-2-one
Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=O)N2)C3=CC(=CC=C3)OCCO
InChI: InChI=1S/C17H15NO3/c19-8-9-21-14-6-3-5-12(10-14)15-11-13-4-1-2-7-16(13)18-17(15)20/h1-7,10-11,19H,8-9H2,(H,18,20)
InChIKey: CAPTUZLISRNFKN-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium CDK Pfmrk (Malaria Pfmrk)	TTSFWA7	P90584_PLAFA	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	A three-dimensional in silico pharmacophore model for inhibition of Plasmodium falciparum cyclin-dependent kinases and discovery of different class... J Med Chem. 2004 Oct 21;47(22):5418-26.
2	Activity of substituted thiophene sulfonamides against malarial and mammalian cyclin dependent protein kinases, Bioorg. Med. Chem. Lett. 20(13):3863-3867 (2010).
3	Selective inhibition of Pfmrk, a Plasmodium falciparum CDK, by antimalarial 1,3-diaryl-2-propenones. Bioorg Med Chem Lett. 2009 Apr 1;19(7):1982-5.
4	Novel molecular targets for antimalarial chemotherapy. Int J Antimicrob Agents. 2007 Jul;30(1):4-10.
5	Evaluation of broad spectrum protein kinase inhibitors to probe the architecture of the malarial cyclin dependent protein kinase Pfmrk. Bioorg Med Chem Lett. 2007 Sep 1;17(17):4961-6.