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Compound Detail

CHEMBL478817

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Cc1c(C)c2ccc(OCCCOc3cc(O)cc(N(C)Cc4ccccc4)c3)cc2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478817
Phase Preclinical
Structure Type MOL
InChI Key MMUHJEWWEJJHLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
5.60
ALogP
6
HBA
1
HBD
72.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29NO5
MW 459.54
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
18585045 10.1016/j.bmc.2008.06.022 Cholinesterase 1
18585045 10.1016/j.bmc.2008.06.022 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine