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Compound Detail

CHEMBL4753446

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CC(c1cc(OCC(F)F)ccn1)n1cnc2c(N)nc(Cl)nc21

Basic Information

ChEMBL ID CHEMBL4753446
Phase Preclinical
Structure Type MOL
InChI Key MMMUNMQNRGXDNZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.8
MW (Da)
2.71
ALogP
7
HBA
1
HBD
91.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13ClF2N6O
MW 354.75
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
CHEMBL4640
IC50 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33291877 10.1021/acs.jmedchem.0c01573 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A 1

Data from ChEMBL 36 via Core Engine