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Compound Detail

CHEMBL4165513

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CN1CCc2cc3c(cc2[C@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165513
Phase Preclinical
Structure Type MOL
InChI Key IYGYMKDQCDOMRE-ROUUACIJSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
2.58
ALogP
7
HBA
0
HBD
66.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H17NO6
MW 367.36
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.41

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
29400966 10.1021/acs.jnatprod.7b00847 Acetylcholinesterase 1
35286954 10.1016/j.bmc.2022.116705 MGC-803 1
35286954 10.1016/j.bmc.2022.116705 HGC-27 1
35286954 10.1016/j.bmc.2022.116705 GES1 1

Data from ChEMBL 36 via Core Engine