PF-04447943

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Synonyms
Status
Molecule Category Free-form
UNII 7N969W8Y4O

Structure

InChI Key IWXUVYOOUMLUTQ-CZUORRHYSA-N
Smiles 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

Mechanism of Action Action Reference
Phosphodiesterase 9A inhibitor INHIBITOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 9 Phosphodiesterase 9A
- 8.3-49 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 8.3-49 - - -

Target Conservation

Protein: Phosphodiesterase 9A
Description: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
Organism : Homo sapiens
O76083 ENSG00000160191

Cross References

Resources Reference
ChEMBL CHEMBL2179105
DrugBank DB11953
FDA SRS 7N969W8Y4O
PDB 7RG
PubChem 135564558
SureChEMBL SCHEMBL1716847
ZINC ZINC000068199983
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