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Compound Detail

CHEMBL3262293

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Cn1c2ccccc2c2cc(CCOc3nccnc3-c3ccncc3)cnc21

Basic Information

ChEMBL ID CHEMBL3262293
Phase Preclinical
Structure Type MOL
InChI Key HWUIDMFIUXLYEA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
4.20
ALogP
6
HBA
0
HBD
65.7
PSA (Ų)
0.46
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 C23H19N5O
MW 381.44
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 7.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
IC50 7.95 7.95 11.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24725435 10.1016/j.bmcl.2014.03.054 cGMP-dependent 3',5'-cyclic phosphodiesterase 2
24725435 10.1016/j.bmcl.2014.03.054 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 2
24725435 10.1016/j.bmcl.2014.03.054 Liver microsome 2
24725435 10.1016/j.bmcl.2014.03.054 Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A 1
24725435 10.1016/j.bmcl.2014.03.054 cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A 1
24725435 10.1016/j.bmcl.2014.03.054 3',5'-cyclic-AMP phosphodiesterase 4D 1
24725435 10.1016/j.bmcl.2014.03.054 cGMP-specific 3',5'-cyclic phosphodiesterase 1
24725435 10.1016/j.bmcl.2014.03.054 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 1
24725435 10.1016/j.bmcl.2014.03.054 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A 1
24725435 10.1016/j.bmcl.2014.03.054 High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A 1
24725435 10.1016/j.bmcl.2014.03.054 Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A 1
24725435 10.1016/j.bmcl.2014.03.054 Unchecked 1

Data from ChEMBL 36 via Core Engine