Structure

InChI Key KSCFJBIXMNOVSH-UHFFFAOYSA-N
Smiles Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O
InChI
InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N4O4
Molecular Weight 254.25
AlogP -2.21
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 102.28
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Bioactivity

Mechanism of Action Action Reference
Phosphodiesterase 3A inhibitor INHIBITOR PubMed DailyMed
Protein: Phosphodiesterase 4

Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4A

Organism : Homo sapiens

P27815 ENSG00000065989
Protein: Phosphodiesterase 4

Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4B

Organism : Homo sapiens

Q07343 ENSG00000184588
Protein: Phosphodiesterase 4

Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4C

Organism : Homo sapiens

Q08493 ENSG00000105650
Protein: Phosphodiesterase 4

Description: cAMP-specific 3',5'-cyclic phosphodiesterase 4D

Organism : Homo sapiens

Q08499 ENSG00000113448
Protein: Phosphodiesterase 3A

Description: cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A

Organism : Homo sapiens

Q14432 ENSG00000172572
Assay Description Organism Bioactivity Reference
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 92.75 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 94.34 %

Related Entries

Cross References

Resources Reference
ChEBI 4728
ChEMBL CHEMBL1752
DrugBank DB00651
DrugCentral 976
FDA SRS 263T0E9RR9
Human Metabolome Database HMDB0014789
Guide to Pharmacology 7070
KEGG C07819
PharmGKB PA164748027
PubChem 3182
SureChEMBL SCHEMBL8192
ZINC ZINC00057147