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Compound Detail

CHEMBL5625053

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COc1ccc(Cn2c(=O)c3cc(OCC#N)ccc3n(C3CCSCC3)c2=O)cc1OC

Basic Information

ChEMBL ID CHEMBL5625053
Phase Preclinical
Structure Type MOL
InChI Key QKFLLRFETHNLQD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
3.20
ALogP
9
HBA
0
HBD
95.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N3O5S
MW 467.55
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 8.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 7
CHEMBL2111411
IC50 8.26 8.26 5.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36796299 10.1016/j.ejmech.2023.115194 Phosphodiesterase 7 1

Data from ChEMBL 36 via Core Engine