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Compound Detail

CHEMBL281663

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OCCCOc1ccccc1-c1nc2ccc[nH]c-2n1

Basic Information

ChEMBL ID CHEMBL281663
Phase Preclinical
Structure Type MOL
InChI Key GTISORQHPBRGPY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
2.34
ALogP
4
HBA
2
HBD
71.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N3O2
MW 269.30
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8388468 10.1021/jm00062a011 cGMP-specific 3',5'-cyclic phosphodiesterase 1
8388468 10.1021/jm00062a011 Phosphodiesterase 3 1
8388468 10.1021/jm00062a011 Phosphodiesterase 4 1

Data from ChEMBL 36 via Core Engine