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Compound Detail

CHEMBL335897

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COc1ccc(C2(Cc3ccncc3)C(O)c3ccccc3C2O)cc1OC1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL335897
Phase Preclinical
Structure Type MOL
InChI Key LSWNZMZTDGNNNF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
4.67
ALogP
5
HBA
2
HBD
71.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29NO4
MW 431.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
9784096 10.1021/jm970575f Phosphodiesterase 4 2

Data from ChEMBL 36 via Core Engine