Details of the Drug

General Information of Drug (ID: DMJPE61)

Drug Name
PF-02545920
Synonyms
1037309-45-7; 2-((4-(1-Methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)quinoline succinate; UNII-TJ5KAZ8T5G; TJ5KAZ8T5G; PF-2545920 succinate; SCHEMBL439127; CTK8C0559; DTXSID90647726; ANW-64894; AKOS016005150; KB-80291; Quinoline, 2-((4-(1-methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl)phenoxy)methyl)-, butanedioate (1:1); AX8234870; TC-153639; Quinoline,2-[[4-[1-methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl]phenoxy]methyl]-,succinate salt; 2-[[4-[1-Methyl-4-(4-pyridyl)pyrazol-3-yl]phenoxy]methyl]quinoline
Indication
Disease Entry ICD 11 Status REF
Huntington disease 8A01.10 Phase 2 [1]
Schizophrenia 6A20 Phase 2 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 392.5
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C25H20N4O
IUPAC Name
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
Canonical SMILES
CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5
InChI
InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3
InChIKey
AZEXWHKOMMASPA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11581936
ChEBI ID
CHEMBL562318
CAS Number
898562-94-2
UNII
R9Y8EY0G42
DrugBank ID
DB08387
TTD ID
D0OH2W
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 10A (PDE10) TTJW4LU PDE10_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Lipid transferase CIDEA (CIDEA) OTDUTSOV CIDEA_HUMAN Gene/Protein Processing [3]
Mitochondrial brown fat uncoupling protein 1 OT0XMVWH UCP1_HUMAN Gene/Protein Processing [3]
Peroxisome proliferator-activated receptor gamma coactivator 1-alpha (PPARGC1A) OTHCDQ22 PRGC1_HUMAN Gene/Protein Processing [3]
Type II iodothyronine deiodinase (DIO2) OTGPNSLH IOD2_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 06 Mental, behavioural or neurodevelopmental disorder
Disease Class ICD-11: 6A20 Schizophrenia
The Studied Tissue Pre-frontal cortex
The Studied Disease Schizophrenia [ICD-11:6A20]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 10A (PDE10) DTT PDE10A 1.99E-01 -0.07 -0.21
Phosphodiesterase 10A (PDE10) DTT PDE10A 4.51E-01 -0.05 -0.32
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 ClinicalTrials.gov (NCT01939548) An Outpatient Study Of The Efficacy, Safety, And Tolerability Of PF-02545920 In The Adjunctive Treatment Of Sub-Optimally Controlled Symptoms of Schizophrenia. U.S. National Institutes of Health.
3 A novel thermoregulatory role for PDE10A in mouse and human adipocytes. EMBO Mol Med. 2016 Jul 1;8(7):796-812. doi: 10.15252/emmm.201506085. Print 2016 Jul.