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Compound Detail

CHEMBL2419553

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CN(C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc2nccn2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2419553
Phase Preclinical
Structure Type MOL
InChI Key ITSOVULNDDPBKK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
4.74
ALogP
5
HBA
0
HBD
59.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20N4O2
MW 408.46
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.71

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
 IC50 6.89 6.89 130.0 1

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 = 130.0 nM 6.89 Inhibition of PDE10A (unknown origin) 23978358

Literature References

PubMed DOI Target Context # Activities
23978358 10.1016/j.bmc.2013.07.030 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 2

Data from ChEMBL 36 via Core Engine