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Compound Detail

CHEMBL3288075

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C=C(C=O)[C@@H]1CC[C@@]2(C)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288075
Phase Preclinical
Structure Type MOL
InChI Key MTLHHWUQKRPSDW-SKESNUHASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.7
MW (Da)
6.17
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.39
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 C30H48O3
MW 456.71
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 2.97

Literature References

PubMed DOI Target Context # Activities
24835788 10.1016/j.bmc.2014.04.050 Acetylcholinesterase 2
24835788 10.1016/j.bmc.2014.04.050 Cholinesterase 1

Data from ChEMBL 36 via Core Engine