Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5187496

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)CNc1nc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5187496
Phase Preclinical
Structure Type MOL
InChI Key SFNRLMVUNUUQAT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
3.38
ALogP
7
HBA
2
HBD
90.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N6O2S
MW 454.60
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.75

Activity Summary

IC50 1 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
 IC50 6.44 6.44 360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-specific 3',5'-cyclic phosphodiesterase IC50 = 360.0 nM 6.44 Inhibition of human PDE5 using [3H]cGMP as substrate incubated for 10 mins by li... 36450167

Literature References

PubMed DOI Target Context # Activities
36450167 10.1016/j.bmc.2022.117092 cGMP-specific 3',5'-cyclic phosphodiesterase 2
36450167 10.1016/j.bmc.2022.117092 Unchecked 2
36450167 10.1016/j.bmc.2022.117092 No relevant target 2

Data from ChEMBL 36 via Core Engine