General Information of the Compound
Compound ID
CP0046376
Compound Name
PF-2545920
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Synonyms
1037309-45-7
2-((4-(1-Methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)quinoline succinate
2-[[4-[1-Methyl-4-(4-pyridyl)pyrazol-3-yl]phenoxy]methyl]quinoline
AKOS016005150
ANW-64894
AX8234870
CTK8C0559
DTXSID90647726
KB-80291
PF-02545920
PF-2545920 succinate
Quinoline, 2-((4-(1-methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl)phenoxy)methyl)-, butanedioate (1:1)
Quinoline,2-[[4-[1-methyl-4-(4-pyridinyl)-1H-pyrazol-3-yl]phenoxy]methyl]-,succinate salt
SCHEMBL439127
TC-153639
TJ5KAZ8T5G
UNII-TJ5KAZ8T5G
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Structure
Formula
C25H20N4O
Molecular Weight
392.462
Canonical SMILES
Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
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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
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InChIKey
AZEXWHKOMMASPA-UHFFFAOYSA-N
CAS
898562-94-2
Physicochemical Property
logP
5.2763
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
52.83
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
30

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 11581936
SID: 16684394
ChEMBL ID
CHEMBL562318
DrugBank ID
DB08387
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 0.5012 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.6457 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.18 nM
2 IC50 = 0.5 nM
3 Ki = 0.17 nM
Protein ID: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1.34 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.18 nM
2 IC50 = 0.3 nM
3 IC50 = 0.37 nM
4 IC50 = 1.26 nM
5 IC50 = 1.68 nM
6 IC50 = 2.6 nM
Clinical Information about the Compound
Drug 1 ( PF-02545920 )
Drug Name PF-02545920
Company Pfizer
Indication
Schizophrenia
Phase 2
Huntington disease
Phase 2
Huntington disease
Phase 2
Target(s)
Phosphodiesterase 10A (PDE10)
Inhibitor