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Compound Detail

CHEMBL5274203

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Cc1cnc2c(C(=O)N[C@@H](c3ccc(OC(F)(F)F)cc3)C(C)(C)O)cnn2c1

Basic Information

ChEMBL ID CHEMBL5274203
Phase Preclinical
Structure Type MOL
InChI Key NPARLOLYJZFLKX-HNNXBMFYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
3.18
ALogP
6
HBA
2
HBD
88.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F3N4O3
MW 408.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.38

Activity Summary

IC50 2 meas. best 8.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
IC50 8.29 8.29 5.1 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33412421 10.1016/j.ejmech.2020.113123 cGMP-dependent 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine