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Compound Detail

CHEMBL3593645

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CN(C(=O)c1csc(-c2cccnc2)n1)c1ccc(OCB2C=Cc3ccccc3N2)cc1

Basic Information

ChEMBL ID CHEMBL3593645
Phase Preclinical
Structure Type MOL
InChI Key JLHLDWMYWBQUEP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

452.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21BN4O2S
MW 452.35

Activity Summary

IC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
IC50 6.48 6.48 330.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 283.33 mL.min-1.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A IC50 = 330.0 nM 6.48 Inhibition of PDE10A (unknown origin) 26113188

Literature References

PubMed DOI Target Context # Activities
26113188 10.1016/j.bmc.2015.06.019 Liver microsome 1
26113188 10.1016/j.bmc.2015.06.019 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 1

Data from ChEMBL 36 via Core Engine