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Compound Detail

CHEMBL63428

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NC(=O)c1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1

Basic Information

ChEMBL ID CHEMBL63428
Phase Preclinical
Structure Type MOL
InChI Key BJZMEUSWMMARSO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
2.07
ALogP
6
HBA
2
HBD
99.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N4O3
MW 322.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 6.11 6.11 770.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine