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Compound Detail

CHEMBL3354267

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COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)NCc2ncccn2)cc1Cl

Basic Information

ChEMBL ID CHEMBL3354267
Phase Preclinical
Structure Type MOL
InChI Key NHPLELWQQWPFLE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

491.9
MW (Da)
3.44
ALogP
9
HBA
2
HBD
124.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClN7O3
MW 491.94
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL2304402
IC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25455484 10.1016/j.bmcl.2014.10.008 cGMP-specific 3',5'-cyclic phosphodiesterase 1
25455484 10.1016/j.bmcl.2014.10.008 Unchecked 1

Data from ChEMBL 36 via Core Engine