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Compound Detail

CHEMBL118376

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Cc1cc[nH]c1CCNc1nc(-c2cccnc2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL118376
Phase Preclinical
Structure Type MOL
InChI Key DRAAPBYFAPMGEL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.98
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.58
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 C20H19N5
MW 329.41
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 5.96 5.96 1100.0 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

Data from ChEMBL 36 via Core Engine