Details of the Drug

General Information of Drug (ID: DMDU6GN)

Drug Name

JNJ-479655

Synonyms

1428327-31-4; N-((4-(4-phenylpiperazin-1-yl)tetrahydro-2H-pyran-4-yl)methyl)-2-(phenylthio)nicotinamide; JNJ-47965567; JNJ 47965567; N-{[4-(4-Phenylpiperazin-1-Yl)oxan-4-Yl]methyl}-2-(Phenylsulfanyl)pyridine-3-Carboxamide; P2X Antagonist III; antagonist JNJ47965567; GTPL7538; CHEMBL2338352; MolPort-035-941-198; ZINC95590396; AKOS025142079; JNJ47965567; NCGC00387264-01; J-115; JNJ-47965567, > Z2235332565; N-[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl]-2-phenylsulfanylpyridine-3-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Clinical trial	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

488.6

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C28H32N4O2S
IUPAC Name: N-[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
Canonical SMILES: C1COCCC1(CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5
InChI: InChI=1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33)
InChIKey: XREFXUCWSYMIOG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 66553218
TTD ID: D07QTG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
P2X purinoceptor 7 (P2RX7)	TT473XN	P2RX7_HUMAN	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Alzheimer disease

ICD Disease Classification

8A20

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
P2X purinoceptor 7 (P2RX7)	DTT	P2RX7	1.11E-06	0.37	0.49

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	The role of the innate immune system in psychiatric disorders. Mol Cell Neurosci. 2013 Mar;53:52-62.
2	Pharmacological characterization of a novel centrally permeable P2X7 receptor antagonist: JNJ-47965567. Br J Pharmacol. 2013 Oct;170(3):624-40.