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Compound Detail

CHEMBL67239

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COc1cc2c(=O)n(Cc3ccc4c(c3)OCO4)cnc2c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL67239
Phase Preclinical
Structure Type MOL
InChI Key MZDQRUNXIDYLIR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
2.20
ALogP
8
HBA
0
HBD
81.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O6
MW 370.36
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.52

Activity Summary

IC50 2 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
 IC50 6.28 6.28 530.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-specific 3',5'-cyclic phosphodiesterase IC50 = 530.0 nM 6.28 Inhibitory activity against cGMP-phosphodiesterase from porcine aorta 8027992
cGMP-specific 3',5'-cyclic phosphodiesterase IC50 = 530.0 nM 6.28 Inhibitory activity against cyclic GMP-phosphodiesterase (PDE V) isolated from p... 8254606

Literature References

PubMed DOI Target Context # Activities
8027992 10.1021/jm00039a024 cGMP-specific 3',5'-cyclic phosphodiesterase 1
8254606 10.1021/jm00076a003 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine