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Compound Detail

CHEMBL555184

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Cl.Cl.Fc1ccc2c(NCc3ccccc3)nc(-c3cccnc3)nc2c1

Basic Information

ChEMBL ID CHEMBL555184
Phase Preclinical
Structure Type MOL
InChI Key IDIMEDVIQMTXHX-UHFFFAOYSA-N
Parent Compound CHEMBL1195711
Active Moiety CHEMBL1195711
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.44
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.60
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 C20H17Cl2FN4
MW 403.29
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.81

Activity Summary

IC50 1 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 6.32 6.32 480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658441 10.1021/jm00018a014 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine