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Compound Detail

CHEMBL371798

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CN(CCCCCCCOc1ccc2c(c1)O/C(=C\c1cccc3ccccc13)C2=O)Cc1cccc(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371798
Phase Preclinical
Structure Type MOL
InChI Key VNNYYOOOBVNSEE-NVMPUMLXSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

521.7
MW (Da)
7.62
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H35NO4
MW 521.66
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -0.60

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15974596 10.1021/jm049515h Acetylcholinesterase 2
15974596 10.1021/jm049515h Cholinesterase 1
15974596 10.1021/jm049515h Cholinesterases; ACHE & BCHE 1

Data from ChEMBL 36 via Core Engine