PF-04447943

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7N969W8Y4O

Structure
InChI Key IWXUVYOOUMLUTQ-CZUORRHYSA-N
Smile C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1
InChI
InChI=1S/C20H25N7O2/c1-13-10-26(12-17-21-5-2-6-22-17)11-16(13)18-24-19-15(20(28)25-18)9-23-27(19)14-3-7-29-8-4-14/h2,5-6,9,13-14,16H,3-4,7-8,10-12H2,1H3,(H,24,25,28)/t13-,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25N7O2
Molecular Weight 395.47
AlogP 1.5
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 101.82
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 9A inhibitor PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1C
- 1394 - - -
Enzyme Phosphodiesterase Phosphodiesterase 9 Phosphodiesterase 9A
- 8-49 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1082744-20-4
ChEMBL CHEMBL2179105
DrugBank DB11953
FDA SRS 7N969W8Y4O
PDB 7RG
PubChem 135564558
SureChEMBL SCHEMBL1716847
ZINC ZINC000068199983
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