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Compound Detail

CHEMBL3593644

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CN(C(=O)c1cc(-c2ccccn2)[nH]n1)c1ccc(OCB2C=Cc3ccccc3N2)cc1

Basic Information

ChEMBL ID CHEMBL3593644
Phase Preclinical
Structure Type MOL
InChI Key MYTNPSGFCIPNAD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22BN5O2
MW 435.30

Activity Summary

IC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
IC50 7.19 7.19 64.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 25.0 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 = 64.0 nM 7.19 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