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Compound Detail

CHEMBL4460740

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NS(=O)(=O)c1ccc(Nc2nc(NCc3cccs3)c3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4460740
Phase Preclinical
Structure Type MOL
InChI Key IIJHRCBSNYDNNE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
3.69
ALogP
7
HBA
3
HBD
110.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5O2S2
MW 411.51
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -2.21

Activity Summary

IC50 1 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL4567
 IC50 6.65 6.65 224.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-specific 3',5'-cyclic phosphodiesterase IC50 = 224.0 nM 6.65 Inhibition of rat lung PDE5 using [3H]cGMP as substrate measured after 10 mins b... 30509781

Literature References

PubMed DOI Target Context # Activities
30509781 10.1016/j.bmcl.2018.11.043 Unchecked 1
30509781 10.1016/j.bmcl.2018.11.043 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine