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Compound Detail

CHEMBL119309

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Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)no1

Basic Information

ChEMBL ID CHEMBL119309
Phase Preclinical
Structure Type MOL
InChI Key PFZCLFYAOOWJHH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
4.34
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.61
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 C18H14N4O
MW 302.34
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.89

Activity Summary

IC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 5.44 5.44 3600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658441 10.1021/jm00018a014 cGMP-specific 3',5'-cyclic phosphodiesterase 1
15715498 10.1021/jm0492249 Glycogen synthase kinase-3 1

Data from ChEMBL 36 via Core Engine