Details of the Drug

General Information of Drug (ID: DM3LQFK)

Drug Name

(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline

Synonyms

CHEMBL1086032; (R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)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): 0

Molecular Weight (mw)

240.34

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C16H20N2
IUPAC Name: 6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
Canonical SMILES: C[C@@H]1CCCN1CCC2=CC3=C(C=C2)N=CC=C3
InChI: InChI=1S/C16H20N2/c1-13-4-3-10-18(13)11-8-14-6-7-16-15(12-14)5-2-9-17-16/h2,5-7,9,12-13H,3-4,8,10-11H2,1H3/t13-/m1/s1
InChIKey: HUQYUKHHFHNJRR-CYBMUJFWSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H3 receptor (H3R)	TT9JNIC	HRH3_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histamine H3 receptor (H3R)	DTT	HRH3	3.62E-02	-0.09	-0.22

Molecular Expression Atlas (MEA)

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References

1	In vitro studies on a class of quinoline containing histamine H3 antagonists. Bioorg Med Chem Lett. 2010 Jun 1;20(11):3295-300.