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Compound Detail

CHEMBL369259

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Oc1c2c(nc3ccccc13)C(c1ccc3c(c1)CCO3)N(c1ccc(-c3ccccn3)nc1)C2

Basic Information

ChEMBL ID CHEMBL369259
Phase Preclinical
Structure Type MOL
InChI Key PQOYPPUGRGEVJD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
5.44
ALogP
6
HBA
1
HBD
71.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H22N4O2
MW 458.52
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.55

Activity Summary

Ki 1 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL4567
Ki 8.19 8.19 6.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15771456 10.1021/jm0401098 Unchecked 6
15771456 10.1021/jm0401098 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine