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Compound Detail

CHEMBL3317688

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Cc1cc2c3ccncc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1

Basic Information

ChEMBL ID CHEMBL3317688
Phase Preclinical
Structure Type MOL
InChI Key QFKBKBDWSBQPKB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
4.38
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.47
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 C23H21N5
MW 367.46
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
CHEMBL4409
IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

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 cGMP-dependent 3',5'-cyclic phosphodiesterase 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-inhibited 3',5'-cyclic phosphodiesterase 3A 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
25016376 10.1016/j.ejmech.2014.07.020 MDCK 1

Data from ChEMBL 36 via Core Engine