Details of the Drug

General Information of Drug (ID: DMCLRBK)

Drug Name

N-(4-amino-2-propylquinolin-6-yl)cinnamamide

Synonyms

CHEMBL385639; N-(4-amino-2-propylquinolin-6-yl)cinnamamide

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)

331.4

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C21H21N3O
IUPAC Name: (E)-N-(4-amino-2-propylquinolin-6-yl)-3-phenylprop-2-enamide
Canonical SMILES: CCCC1=CC(=C2C=C(C=CC2=N1)NC(=O)/C=C/C3=CC=CC=C3)N
InChI: InChI=1S/C21H21N3O/c1-2-6-16-14-19(22)18-13-17(10-11-20(18)23-16)24-21(25)12-9-15-7-4-3-5-8-15/h3-5,7-14H,2,6H2,1H3,(H2,22,23)(H,24,25)/b12-9+
InChIKey: PWQSXBRFDPQGOC-FMIVXFBMSA-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	4-Aminoquinoline melanin-concentrating hormone 1-receptor (MCH1R) antagonists. Bioorg Med Chem Lett. 2006 Oct 15;16(20):5275-9.