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Compound Detail

CHEMBL5437525

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O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12

Basic Information

ChEMBL ID CHEMBL5437525
Phase Preclinical
Structure Type MOL
InChI Key CUPCGRKHOAWCTI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
4.98
ALogP
6
HBA
1
HBD
59.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21F3N4O2
MW 466.46
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
CHEMBL2717
IC50 9.15 9.15 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A IC50 = 0.7 nM 9.15 Inhibition of PDE11A (unknown origin) 37862143

Literature References

PubMed DOI Target Context # Activities
37862143 10.1021/acs.jmedchem.3c01088 Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A 1

Data from ChEMBL 36 via Core Engine