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Compound Detail

CHEMBL3288078

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CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H]([C@@]6(C)CO6)CC[C@]5(C)[C@@H](O)C[C@@]4(C)[C@]3(C)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288078
Phase Preclinical
Structure Type MOL
InChI Key ZPENNFUFFPFOLB-NIFJNABDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.7
MW (Da)
6.21
ALogP
3
HBA
2
HBD
53.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H50O3
MW 458.73
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 2.74

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