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Compound Detail

CHEMBL4569293

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COc1ccc(CCN2C=NC3C(=O)NC(Cc4ccc(OCc5ccccc5)cc4)=NC32)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4569293
Phase Preclinical
Structure Type MOL
InChI Key PEUPKQGPACRQGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
3.63
ALogP
7
HBA
1
HBD
84.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30N4O4
MW 498.58
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
30554955 10.1016/j.bmcl.2018.12.018 cGMP-dependent 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine