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Compound Detail

CHEMBL4753374

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

Basic Information

ChEMBL ID CHEMBL4753374
Phase Preclinical
Structure Type MOL
InChI Key ZCFFDDTZRHTZHF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.39
ALogP
6
HBA
2
HBD
110.1
PSA (Ų)
0.56
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 C19H14N4O4
MW 362.35
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.60

Activity Summary

EC50 2 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
EC50 6.66 6.66 220.0 1
Corpus cavernosum
CHEMBL4800705
EC50 6.65 6.65 223.1 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 1

Data from ChEMBL 36 via Core Engine