PROXYPHYLLINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: R03DA03
UNII: 13G1DMN4P0

Structure
InChI Key KYHQZNGJUGFTGR-UHFFFAOYSA-N
Smile CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChI
InChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N4O3
Molecular Weight 238.25
AlogP -1.19
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 82.05
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 2 Phosphodiesterase 2A
- - - 600000 -
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3A
- - - 1000000 -
Enzyme Phosphodiesterase Phosphodiesterase 3 Phosphodiesterase 3B
- - - 1000000 -
Enzyme Phosphodiesterase Phosphodiesterase 5 Phosphodiesterase 5A
- - - 600000 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -8.16--7.41

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 32070
ChEMBL CHEMBL37390
DrugBank DB13449
DrugCentral 2323
EPA CompTox DTXSID5023536
FDA SRS 13G1DMN4P0
PubChem 4977
SureChEMBL SCHEMBL35569
CONTENTS