Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3317684

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOC(=O)c1cc2c3cccnc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3317684
Phase Preclinical
Structure Type MOL
InChI Key HRNULPRQCFJBRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
4.24
ALogP
7
HBA
0
HBD
74.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N5O2
MW 425.49
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
 IC50 6.66 6.66 220.0 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 = 220.0 nM 6.66 Inhibition of human PDE10A (amino acids 14 to 779) using [3H]-labelled cyclic nu... 25016376

Literature References

PubMed DOI Target Context # Activities
25016376 10.1016/j.ejmech.2014.07.020 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 2
25016376 10.1016/j.ejmech.2014.07.020 Liver microsome 2
25016376 10.1016/j.ejmech.2014.07.020 cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A 1
25016376 10.1016/j.ejmech.2014.07.020 Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C 1
25016376 10.1016/j.ejmech.2014.07.020 cGMP-dependent 3',5'-cyclic phosphodiesterase 1
25016376 10.1016/j.ejmech.2014.07.020 3',5'-cyclic-AMP phosphodiesterase 4D 1
25016376 10.1016/j.ejmech.2014.07.020 cGMP-specific 3',5'-cyclic phosphodiesterase 1
25016376 10.1016/j.ejmech.2014.07.020 3',5'-cyclic-AMP phosphodiesterase 7B 1
25016376 10.1016/j.ejmech.2014.07.020 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A 1
25016376 10.1016/j.ejmech.2014.07.020 High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A 1
25016376 10.1016/j.ejmech.2014.07.020 Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A 1

Data from ChEMBL 36 via Core Engine