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Compound Detail

CHEMBL3793885

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CCCCCCCCCCCCCCCC(=O)OC[C@H]1C[C@@H](OC2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]5(C)CC[C@@H]43)C2)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793885
Phase Preclinical
Structure Type MOL
InChI Key QEPLIDYUHJZGPM-REKRTIMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

813.3
MW (Da)
12.54
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.05
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H92O6
MW 813.30
Aromatic Rings 0
Heavy Atoms 58
NP-Likeness 1.96

Literature References

PubMed DOI Target Context # Activities
26978121 10.1016/j.ejmech.2015.12.002 3',5'-cyclic-AMP phosphodiesterase 4D 1

Data from ChEMBL 36 via Core Engine