Details of the Drug

General Information of Drug (ID: DMJKL3Z)

Drug Name

8-(2-Cyclopropyl-ethoxy)-quinolin-2-ylamine

Synonyms

CHEMBL186949; 8-(2-Cyclopropyl-ethoxy)-quinolin-2-ylamine; SCHEMBL5884150

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)

228.29

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H16N2O
IUPAC Name: 8-(2-cyclopropylethoxy)quinolin-2-amine
Canonical SMILES: C1CC1CCOC2=CC=CC3=C2N=C(C=C3)N
InChI: InChI=1S/C14H16N2O/c15-13-7-6-11-2-1-3-12(14(11)16-13)17-9-8-10-4-5-10/h1-3,6-7,10H,4-5,8-9H2,(H2,15,16)
InChIKey: YLXQVSWEPLSGKN-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Melanin-concentrating hormone receptor 1 (MCHR1)	TTX4RTB	MCHR1_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
Melanin-concentrating hormone receptor 1 (MCHR1)	DTT	MCHR1	6.98E-01	-0.01	-0.04

Molecular Expression Atlas (MEA)

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References

1	Synthesis and evaluation of 2-amino-8-alkoxy quinolines as MCHr1 antagonists. Part 1. Bioorg Med Chem Lett. 2004 Oct 4;14(19):4873-7.