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Compound Detail

CHEMBL24457

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COc1cccc(-c2cc3c(c(=O)o2)C(=O)C2[C@@]4(C)CC[C@H](O)[C@@](C)(CO)C4C[C@H](O)[C@@]2(C)O3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24457
Phase Preclinical
Structure Type MOL
InChI Key MOTFHVTUJOZZAG-AAJGEYFASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
2.81
ALogP
8
HBA
3
HBD
126.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32O8
MW 484.55
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 1.81

Literature References

PubMed DOI Target Context # Activities
10890154 10.1016/s0960-894x(00)00218-3 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine