VESNARINONE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5COW40EV8M

Structure
InChI Key ZVNYJIZDIRKMBF-UHFFFAOYSA-N
Smile COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC
InChI
InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25N3O4
Molecular Weight 395.46
AlogP 2.55
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 71.11
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3A
- 10700-11210 - - -
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3B
- 13200-14540 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 1097-18000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 1 D015658 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 81840-15-5
ChEBI 31237
ChEMBL CHEMBL17423
DrugBank DB12082
DrugCentral 2817
EPA CompTox DTXSID80231411
FDA SRS 5COW40EV8M
Human Metabolome Database HMDB0042059
PubChem 5663
SureChEMBL SCHEMBL50993
ZINC ZINC000003781942
CONTENTS