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Compound Detail

CHEMBL4565213

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Clc1cnc(Nc2ccccc2)nc1NCc1ccccc1

Basic Information

ChEMBL ID CHEMBL4565213
Phase Preclinical
Structure Type MOL
InChI Key ZFUAZMMTYXSXEO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.8
MW (Da)
4.49
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.73
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 C17H15ClN4
MW 310.79
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.47 4.47 33500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 33500.0 nM 4.47 Inhibition of histone activated chicken PDE6 using [3H]cGMP as substrate measure... 30509781

Literature References

PubMed DOI Target Context # Activities
30509781 10.1016/j.bmcl.2018.11.043 Unchecked 1
30509781 10.1016/j.bmcl.2018.11.043 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine