Details of the Drug

General Information of Drug (ID: DMV4ZWD)

Drug Name

PMID22465637C1

Synonyms

GTPL6236

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

275.3

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H17N3
IUPAC Name: 4-(1-phenylpyrazolidin-4-yl)quinoline
Canonical SMILES: C1C(CN(N1)C2=CC=CC=C2)C3=CC=NC4=CC=CC=C34
InChI: InChI=1S/C18H17N3/c1-2-6-15(7-3-1)21-13-14(12-20-21)16-10-11-19-18-9-5-4-8-17(16)18/h1-11,14,20H,12-13H2
InChIKey: KQNXOSZPTJGHDO-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 4 (mGluR4)	TTICZ1O	GRM4_HUMAN	Modulator (allosteric modulator)	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	4-(1-Phenyl-1H-pyrazol-4-yl)quinolines as novel, selective and brain penetrant metabotropic glutamate receptor 4 positive allosteric modulators. Bioorg Med Chem Lett. 2012 May 1;22(9):3235-9.