Details of the Drug

General Information of Drug (ID: DMOJ917)

Drug Name

Cinchoninic acid

Synonyms

Quinoline-4-carboxylic acid; 486-74-8; 4-Quinolinecarboxylic acid; CINCHONINIC ACID; 4-Carboxyquinoline; Cinchonic acid; USAF D-2; NSC 13138; EINECS 207-640-1; MFCD00006782; Quinoline-4-Carboxylicacid; BRN 0005224; 4-QuinolinecarboxylicAcid; Cinchoninsaure; PubChem5843; Chinolin-4-carbonsaeure; AC1L1USE; Maybridge1_002367; quinoline4-carboxylic acid; 4-quinoline carboxylic acid; ACMC-1AM77; WLN: T66 BNJ EVQ; Oprea1_466681; KSC171Q1F; 5-22-03-00204 (Beilstein Handbook Reference); SCHEMBL228713; DivK1c_001119; AC1Q72O9; CHEBI:18311

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)

173.17

Logarithm of the Partition Coefficient (xlogp)

0.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C10H7NO2
IUPAC Name: quinoline-4-carboxylic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=CC=N2)C(=O)O
InChI: InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)
InChIKey: VQMSRUREDGBWKT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10243
ChEBI ID: CHEBI:18311
CAS Number: 486-74-8
TTD ID: D07NYQ

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	Kinetics of inhibition of human and rat dihydroorotate dehydrogenase by atovaquone, lawsone derivatives, brequinar sodium and polyporic acid. Chem Biol Interact. 2000 Jan 3;124(1):61-76.