Structure

InChI Key QCSDJDQOJBQTDV-UHFFFAOYSA-N
Smile COc1cc2c3c(n(CCCNCCO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2
InChI
InChI=1S/C24H24N2O7/c1-30-17-8-13-16(11-18(17)31-2)24(29)26(6-3-4-25-5-7-27)22-14-9-19-20(33-12-32-19)10-15(14)23(28)21(13)22/h8-11,25,27H,3-7,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H24N2O7
Molecular Weight 452.46
AlogP 1.93
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 108.25
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase
- 1000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lymphoma 1 D008223 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL126159
EPA CompTox DTXSID30327954
FDA SRS 29BY7HQV0T
PubChem 397888
SureChEMBL SCHEMBL4162998
ZINC ZINC000001656709