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Compound Detail

CHEMBL4434785

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COc1cc2c(cc1Oc1c3c(cc(OC)c1OC)CCN(C)C3)C(=O)N(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4434785
Phase Preclinical
Structure Type MOL
InChI Key VEEVDSQFFOCSIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
3.12
ALogP
6
HBA
0
HBD
60.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H28N2O5
MW 412.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.58

Literature References

PubMed DOI Target Context # Activities
30701972 10.1021/acs.jnatprod.8b00592 Prolyl endopeptidase 1
30701972 10.1021/acs.jnatprod.8b00592 Cholinesterase 1
30701972 10.1021/acs.jnatprod.8b00592 Acetylcholinesterase 1
30701972 10.1021/acs.jnatprod.8b00592 Glycogen synthase kinase-3 beta 1
30701972 10.1021/acs.jnatprod.8b00592 No relevant target 1

Data from ChEMBL 36 via Core Engine