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Compound Detail

CHEMBL182895

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CCOc1ccccc1-c1nc(O)c2c(C)nc(C)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL182895
Phase Preclinical
Structure Type MOL
InChI Key IJCQPYVFQIZZSO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
2.51
ALogP
6
HBA
1
HBD
72.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N4O2
MW 284.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.39

Activity Summary

IC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
 IC50 6.7 6.7 200.0 1
Phosphodiesterase 1
CHEMBL2095150
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-specific 3',5'-cyclic phosphodiesterase IC50 = 200.0 nM 6.7 Inhibition of phosphodiesterase 5 15993055
Phosphodiesterase 1 IC50 = 1000.0 nM 6.0 Inhibition of phosphodiesterase 1 15993055

Literature References

PubMed DOI Target Context # Activities
15993055 10.1016/j.bmcl.2005.05.090 Phosphodiesterase 1 1
15993055 10.1016/j.bmcl.2005.05.090 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine