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Compound Detail

CHEMBL327666

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COCCOc1ccccc1-c1nc2c(=O)n(C)c(=O)n(CC(C)C)c2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL327666
Phase Preclinical
Structure Type MOL
InChI Key WESFNXJWHVESDG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
1.77
ALogP
7
HBA
1
HBD
91.1
PSA (Ų)
0.64
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 C19H24N4O4
MW 372.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
 IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-specific 3',5'-cyclic phosphodiesterase IC50 = 1500.0 nM 5.82 Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) 12182866

Literature References

PubMed DOI Target Context # Activities
12182866 10.1016/s0960-894x(02)00480-8 cGMP-specific 3',5'-cyclic phosphodiesterase 1
12182866 10.1016/s0960-894x(02)00480-8 Phosphodiesterase 6 1

Data from ChEMBL 36 via Core Engine