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Compound Detail

CHEMBL305427

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COC(=O)c1nc(O)c2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1

Basic Information

ChEMBL ID CHEMBL305427
Phase Preclinical
Structure Type MOL
InChI Key VCYNRZGDEXCOND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

429.4
MW (Da)
3.44
ALogP
9
HBA
1
HBD
105.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23NO8
MW 429.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.12

Activity Summary

IC50 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL2304402
IC50 6.05 6.05 900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11405657 10.1021/jm000558h Phosphodiesterase 1 1
11405657 10.1021/jm000558h Phosphodiesterase 3 1
11405657 10.1021/jm000558h cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine