Details of the Drug

General Information of Drug (ID: DMW93IO)

Drug Name

GNF-PF-2322

Synonyms

GNF-PF-2322; CHEMBL194986; SR-01000548998

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)

442.5

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C26H26N4O3
IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-oxochromene-2-carboxamide
Canonical SMILES: CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC(=O)C5=CC=CC=C5O4)C(=C2)C
InChI: InChI=1S/C26H26N4O3/c1-3-29-10-12-30(13-11-29)25-14-17(2)20-15-18(8-9-21(20)28-25)27-26(32)24-16-22(31)19-6-4-5-7-23(19)33-24/h4-9,14-16H,3,10-13H2,1-2H3,(H,27,32)
InChIKey: GDOKGIIKPLGRMR-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	6-Acylamino-2-aminoquinolines as potent melanin-concentrating hormone 1 receptor antagonists. Identification, structure-activity relationship, and ... J Med Chem. 2005 Sep 8;48(18):5684-97.