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Compound Detail

CHEMBL339503

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CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC(O)/C(C)=C\[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL339503
Phase Preclinical
Structure Type MOL
InChI Key QIJBLJBQYZHTRJ-RGKMEJRTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

586.8
MW (Da)
4.53
ALogP
8
HBA
3
HBD
114.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H50O8
MW 586.77
Aromatic Rings 0
Heavy Atoms 42
NP-Likeness 2.69

Literature References

PubMed DOI Target Context # Activities
2913297 10.1021/jm00122a015 Unchecked 1
2913297 10.1021/jm00122a015 Tetranychus urticae 1

Data from ChEMBL 36 via Core Engine