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Compound Detail

CHEMBL4790850

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COC(=O)c1ccccc1OCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL4790850
Phase Preclinical
Structure Type MOL
InChI Key OFDUSMVPGGANBN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
2.47
ALogP
7
HBA
1
HBD
99.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N4O4
MW 376.37
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.67

Activity Summary

EC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
EC50 8.0 8.0 10.0 1
Corpus cavernosum
CHEMBL4800705
EC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32631538 10.1016/j.bmcl.2020.127337 cGMP-specific 3',5'-cyclic phosphodiesterase 2
32631538 10.1016/j.bmcl.2020.127337 Corpus cavernosum 2

Data from ChEMBL 36 via Core Engine