TOVINONTRINE

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Synonyms
Status
Molecule Category Free-form
UNII W248Y1AKOR

Structure

InChI Key GWGNPYYVGANHRJ-GDBMZVCRSA-N
Smiles C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1cn2c(C3CCOCC3)ncc2c(=O)[nH]1
InChI
InChI=1S/C21H26N6O2/c1-14-10-26(13-19-22-5-2-6-23-19)11-16(14)17-12-27-18(21(28)25-17)9-24-20(27)15-3-7-29-8-4-15/h2,5-6,9,12,14-16H,3-4,7-8,10-11,13H2,1H3,(H,25,28)/t14-,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26N6O2
Molecular Weight 394.48
AlogP 1.94
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 88.41
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Phosphodiesterase 9A inhibitor INHIBITOR Other PubMed

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 CHEMBL4297290
DrugBank DB16193
FDA SRS W248Y1AKOR
SureChEMBL SCHEMBL20358493
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