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Compound Detail

CHEMBL1915732

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FCCn1cc(-c2ccncc2)c(-c2ccc(OCc3cccc(C4CC4)n3)cc2)n1

Basic Information

ChEMBL ID CHEMBL1915732
Phase Preclinical
Structure Type MOL
InChI Key LQXFYXGYPVHEKJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
5.43
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23FN4O
MW 414.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL6140
IC50 7.5 7.5 31.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21777010 10.1021/jm200536d cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 1

Data from ChEMBL 36 via Core Engine