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Compound Detail

CHEMBL1642570

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Cc1cc2c3ccccc3nc(CSc3nc(-c4ccccc4)cn3C)n2n1

Basic Information

ChEMBL ID CHEMBL1642570
Phase Preclinical
Structure Type MOL
InChI Key OPNNZLNDTQCGOJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
4.88
ALogP
6
HBA
0
HBD
48.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N5S
MW 385.50
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -1.69

Activity Summary

IC50 1 meas. best 7.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
IC50 7.32 7.32 48.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21087867 10.1016/j.bmc.2010.10.038 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 1

Data from ChEMBL 36 via Core Engine