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Compound Detail

CHEMBL1915745

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COc1ccc(Br)c(COc2ccc(-c3nn(CCF)cc3-c3ccncc3)cc2)n1

Basic Information

ChEMBL ID CHEMBL1915745
Phase Preclinical
Structure Type MOL
InChI Key YRPVOUBCSHQTDH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.3
MW (Da)
5.33
ALogP
6
HBA
0
HBD
62.1
PSA (Ų)
0.34
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 C23H20BrFN4O2
MW 483.34
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