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Compound Detail

CHEMBL35958

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COc1ccc(C2CNC(=O)C2)cc1OCCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL35958
Phase Preclinical
Structure Type MOL
InChI Key VQDAWOMOPCBVQU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
1.54
ALogP
4
HBA
2
HBD
84.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19NO5
MW 293.32
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2544722 10.1021/jm00127a009 Phosphodiesterase 1 1
2544722 10.1021/jm00127a009 cGMP-specific 3',5'-cyclic phosphodiesterase 1
2544722 10.1021/jm00127a009 Phosphodiesterase 4 1

Data from ChEMBL 36 via Core Engine