Details of the Drug

General Information of Drug (ID: DMGBSWP)

Drug Name

1-hydroxy-2-dodecyl-4(1H)quinolone

Synonyms

1-hydroxy-2-dodecyl-4(1H)quinolone; CHEMBL224182; AC1LCHH0; SCHEMBL8535434; 2-dodecyl-1-hydroxyquinolin-4-one; 2-dodecyl-1-hydroxy-quinolin-4-one; BDBM50203194; 1-Hydroxy-2-dodecyl-4(1H)quinoline; 1-hydroxy-2-dodecyl-4-(1H)quinoline; (1-Hydroxy-2-dodecyl-4(1H)quinolone); 1-Hydroxy-2-dodecylquinoline-4(1H)-one; 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol; 2-dodecyl -4-HYDROXY QUINOLINE N-OXIDE

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): 2

Molecular Weight (mw)

329.5

Logarithm of the Partition Coefficient (xlogp)

7.2

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H31NO2
IUPAC Name: 2-dodecyl-1-hydroxyquinolin-4-one
Canonical SMILES: CCCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1O
InChI: InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-17,24H,2-11,14H2,1H3
InChIKey: SBALADRDZPFHLM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 600305
TTD ID: D0S8AC

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	Type II NADH dehydrogenase of the respiratory chain of Plasmodium falciparum and its inhibitors. Bioorg Med Chem Lett. 2009 Feb 1;19(3):972-5.