TOVINONTRINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W248Y1AKOR

Structure
InChI Key GWGNPYYVGANHRJ-GDBMZVCRSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 9A inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1A
- 3000 - - -
Enzyme Phosphodiesterase Phosphodiesterase 1 Phosphodiesterase 1B
- 3000 - - -
Enzyme Phosphodiesterase Phosphodiesterase 9 Phosphodiesterase 9A
- 8.19-49 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
beta-Thalassemia 2 D017086 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Anemia, Sickle Cell 2 D000755 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297290
DrugBank DB16193
FDA SRS W248Y1AKOR
SureChEMBL SCHEMBL20358493
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