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Compound Detail

CHEMBL1957362

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CCOc1ccccc1-c1ccc(-c2nc3ccncc3c(OC)c2C#N)cc1

Basic Information

ChEMBL ID CHEMBL1957362
Phase Preclinical
Structure Type MOL
InChI Key UCVLPEBQKCBRHP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
5.24
ALogP
5
HBA
0
HBD
68.0
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19N3O2
MW 381.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
IC50 6.5 6.5 315.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22321214 10.1016/j.bmcl.2012.01.046 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 1

Data from ChEMBL 36 via Core Engine