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Compound Detail

CHEMBL4460956

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COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1

Basic Information

ChEMBL ID CHEMBL4460956
Phase Preclinical
Structure Type MOL
InChI Key GCGOYCUSZGSVHW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
2.53
ALogP
4
HBA
1
HBD
81.5
PSA (Ų)
0.68
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 C15H14N2O4
MW 286.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL3478
IC50 4.72 4.72 19000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31158744 10.1016/j.ejmech.2019.05.026 cGMP-specific 3',5'-cyclic phosphodiesterase 2

Data from ChEMBL 36 via Core Engine